S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamidobutanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamidobutanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamidobutanethioate CAS Name: 2-acetamidobutanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamidobutanethioate Traditional Name: 2-acetamidobutanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)C)NC(=O)C

Isomeric SMILES

CCC(C(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)C)NC(=O)C

InChI

InChI=1S/C20H28N2O3S/c1-4-15(21-14(2)23)18(24)26-17-11-7-6-10-16(17)22-19(25)20(3)12-8-5-9-13-20/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3,(H,21,23)(H,22,25)