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2D Structure
Also known as: Sal003, 1164470-53-4, 301359-91-1, (2e)-3-phenyl-n-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)prop-2-enamide, (2e)-3-phenyl-n-[2,2,2-trichloro-1-[[, Refchem:396584, 632-626-0
Molecular Formula
C18H15Cl4N3OS
Molecular Weight
463.2  g/mol
InChI Key
TVNBASWNLOIQML-IZZDOVSWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]prop-2-enamide
2.1.2 InChI
InChI=1S/C18H15Cl4N3OS/c19-13-7-9-14(10-8-13)23-17(27)25-16(18(20,21)22)24-15(26)11-6-12-4-2-1-3-5-12/h1-11,16H,(H,24,26)(H2,23,25,27)/b11-6+
2.1.3 InChI Key
TVNBASWNLOIQML-IZZDOVSWSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Sal003

2. 1164470-53-4

3. 301359-91-1

4. (2e)-3-phenyl-n-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)prop-2-enamide, (2e)-3-phenyl-n-[2,2,2-trichloro-1-[[

5. Refchem:396584

6. 632-626-0

7. 684-086-0

8. (e)-3-phenyl-n-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]prop-2-enamide

9. 2-propenamide, 3-phenyl-n-[2,2,2-trichloro-1-[[[(4-chlorophenyl)amino]thioxomethyl]amino]ethyl]-, (2e)-

10. Mfcd00361095

11. Smr000184519

12. Mls000573670

13. 3-phenyl-n-(2,2,2-trichloro-1-((((4-chlorophenyl)amino)carbonothioyl)amino)ethyl)acrylamide

14. Sal 003

15. (e)-n-(2,2,2-trichloro-1-(3-(4-chlorophenyl)thioureido)ethyl)cinnamamide

16. (2e)-3-phenyl-n-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)prop-2-enamide

17. 3--phenyl-n-(2,2,2-trichloro-1-((((4-chlorophenyl)amino)carbonothioyl)amino)ethyl)acrylamide

18. C18h15cl4n3os

19. 3-phenyl-n-[2,2,2-trichloro-1-({[(4-chlorophenyl)amino]carbonothioyl}amino)ethyl]acrylamide

20. N-(2,2,2-trichloro-1-(3-(4-chlorophenyl)thioureido)ethyl)cinnamamide

21. Sal-003

22. (e)-1-(4-chlorophenyl)-3-(1,1,1-trichloro-4-oxo-6-phenylhex-5-en-2-yl)thiourea

23. Orb1305512

24. Chembl1340458

25. Schembl17748150

26. Bdbm57469

27. Cid_5717737

28. Eif-2? Inhibitor Ii, Sal003

29. Glxc-05929

30. Hms2374j18

31. Hms3414e09

32. Hms3678e09

33. Hms3886l15

34. Bma35991

35. Ex-a2152

36. Pwb47053

37. S7437

38. Stl253109

39. Akos002338493

40. Akos016336084

41. Ccg-269375

42. Cs-4190

43. Sal003, >=98% (hplc)

44. (2e)-3-phenyl-n-[2,2,2-trichloro-1-[[[(4-chlorophenyl)amino]thioxomethyl]amino]ethyl]-2-propenamide

45. Ac-35950

46. Bs-14375

47. Hy-15969

48. C71536

49. Brd-a45869167-001-10-0

50. Brd-a45869167-001-11-8

51. (e)-3-phenyl-n-[2,2,2-trichloro-1-[(4-chlorophenyl)thiocarbamoylamino]ethyl]acrylamide

52. (e)-3-phenyl-n-[2,2,2-trichloro-1-[[(4-chloroanilino)-sulfanylidenemethyl]amino]ethyl]-2-propenamide

53. (e)-3-phenyl-n-[2,2,2-tris(chloranyl)-1-[(4-chlorophenyl)carbamothioylamino]ethyl]prop-2-enamide

2.3 Create Date
2005-07-28
3 Chemical and Physical Properties
Molecular Weight 463.2 g/mol
Molecular Formula C18H15Cl4N3OS
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area85.3
Heavy Atom Count27
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1