Synonyms
1416334-72-9;1,1'-[(1S,2S)-1,2-Diphenylethylene]bis[3-[3,5-bis(trifluoromethyl)phenyl]thiourea];N,N'-[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis[N'-[3,5-bis(trifluoromethyl)phenyl]thiourea], 95%, (99% ee);
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-1,2-diphenylethyl]thiourea;
Molecular Weight
754.657g/mol
Molecular Formula
C32H22F12N4S2;
Canonical SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C32H22F12N4S2/c33-29(34,35)19-11-20(30(36,37)38)14-23(13-19)45-27(49)47-25(17-7-3-1-4-8-17)26(18-9-5-2-6-10-18)48-28(50)46-24-15-21(31(39,40)41)12-22(16-24)32(42,43)44/h1-16,25-26H,(H2,45,47,49)(H2,46,48,50)/t25-,26-/m0/s1;
InChI Key
IUKNKFBADHHIQJ-UIOOFZCWSA-N;
Complexity
987
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
754.109g/mol
H-Bond Acceptor
14
H-Bond Donor
4
Heavy Atom Count
50
Monoisotopic Mass
754.109g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
112A^2
