![(2S)-(-)-2-{[[[3,5-Bis(tifluoromethyl)phenyl]amino]thioxomethyl]amino}-N-(diphenylmethyl)-N,3,3-trimethylbutanamide, 95%](https://resource.alfa-chemistry.com/structure/1186602-28-7.gif)
Synonyms
SCHEMBL14761481;CVRDZXYJAOQFRH-XMMPIXPASA-N;MFCD18827622;1186602-28-7;N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide;(S)-N-benzhydryl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide;
IUPAC Name
(2S)-N-benzhydryl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide;
Molecular Weight
581.621g/mol
Molecular Formula
C29H29F6N3OS;
Canonical SMILES
CC(C)(C)C(C(=O)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C29H29F6N3OS/c1-27(2,3)24(25(39)38(4)23(18-11-7-5-8-12-18)19-13-9-6-10-14-19)37-26(40)36-22-16-20(28(30,31)32)15-21(17-22)29(33,34)35/h5-17,23-24H,1-4H3,(H2,36,37,40)/t24-/m1/s1;
InChI Key
CVRDZXYJAOQFRH-XMMPIXPASA-N;
Complexity
806
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
581.194g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
40
Monoisotopic Mass
581.194g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
76.5A^2
