3-[3,5-bis(trifluoromethyl)phenyl]-1-[(1R,2R)-2-(dibenzylamino)cyclohexyl]thiourea

CAS: 1240466-16-3

Formula: C29H29F6N3S

SMILES: FC(F)(F)C1=CC(=CC(NC(=S)N[C@@H]2CCCC[C@H]2N(CC2=CC=CC=C2)CC2=CC=CC=C2)=C1)C(F)(F)F

IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-1-[(1R,2R)-2-(dibenzylamino)cyclohexyl]thiourea

InChI: InChI=1S/C29H29F6N3S/c30-28(31,32)22-15-23(29(33,34)35)17-24(16-22)36-27(39)37-25-13-7-8-14-26(25)38(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-6,9-12,15-17,25-26H,7-8,13-14,18-19H2,(H2,36,37,39)/t25-,26+/m1/s1

Composition: C (61.58%), H (5.17%), F (20.15%), N (7.43%), S (5.67%)

Molar Mass: 565.62

Atom Count: 68

Heavy Atom Count: 39