S-[2-[(1-methylcyclohexyl)carbonylamino]-4-phenyl-phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]-4-phenyl-phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenyl-phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]-4-phenylphenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenylphenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]-4-phenyl-phenyl] ester Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO2S/c1-24(2,3)23(28)29-21-14-13-19(18-11-7-5-8-12-18)17-20(21)26-22(27)25(4)15-9-6-10-16-25/h5,7-8,11-14,17H,6,9-10,15-16H2,1-4H3,(H,26,27)