S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-4-methyl-pentanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-4-methyl-pentanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-4-methyl-pentanethioate CAS Name: 2-acetamido-4-methylpentanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-4-methylpentanethioate Traditional Name: 2-acetamido-4-methyl-pentanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3S/c1-15(2)14-18(23-16(3)25)20(26)28-19-11-7-6-10-17(19)24-21(27)22(4)12-8-5-9-13-22/h6-7,10-11,15,18H,5,8-9,12-14H2,1-4H3,(H,23,25)(H,24,27)