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

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2,2-dimethylpentanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpentanethioate CAS Name: 2,2-dimethylpentanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpentanethioate Traditional Name: 2,2-dimethylpentanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)C

Isomeric SMILES

CCCC(C)(C)C(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)C

InChI

InChI=1S/C21H31NO2S/c1-5-13-20(2,3)19(24)25-17-12-8-7-11-16(17)22-18(23)21(4)14-9-6-10-15-21/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H,22,23)