1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]-3,5,5-trimethyl-cyclohexyl]thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]-3,5,5-trimethyl-cyclohexyl]thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]-3,5,5-trimethyl-cyclohexyl]thiourea CAS Name: 1-[(1R,3S)-3-[[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]methyl]-3,5,5-trimethylcyclohexyl]thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,3S)-3-[[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoylamino]methyl]-3,5,5-trimethyl-cyclohexyl]thiourea Formula: C28H28F12N4S2 MolecularWeight: 712.659558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

C[C@]1(C[C@@H](CC(C1)(C)C)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CNC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H28F12N4S2/c1-23(2)10-20(44-22(46)43-19-8-16(27(35,36)37)5-17(9-19)28(38,39)40)11-24(3,12-23)13-41-21(45)42-18-6-14(25(29,30)31)4-15(7-18)26(32,33)34/h4-9,20H,10-13H2,1-3H3,(H2,41,42,45)(H2,43,44,46)/t20-,24-/m1/s1