S-[2-[(1-methylcyclohexyl)carbonylamino]-4-(trifluoromethyl)phenyl] 2-phenylethanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]-4-(trifluoromethyl)phenyl] 2-phenylethanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-(trifluoromethyl)phenyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]-4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-(trifluoromethyl)phenyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-(trifluoromethyl)phenyl] ester Formula: C23H24F3NO2S MolecularWeight: 435.50237

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)SC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)SC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H24F3NO2S/c1-22(12-6-3-7-13-22)21(29)27-18-15-17(23(24,25)26)10-11-19(18)30-20(28)14-16-8-4-2-5-9-16/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3,(H,27,29)