S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-phenyl-propanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-phenyl-propanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-phenyl-propanethioate CAS Name: 2-acetamido-3-phenylpropanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-phenylpropanethioate Traditional Name: 2-acetamido-3-phenyl-propanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

InChI

InChI=1S/C25H30N2O3S/c1-18(28)26-21(17-19-11-5-3-6-12-19)23(29)31-22-14-8-7-13-20(22)27-24(30)25(2)15-9-4-10-16-25/h3,5-8,11-14,21H,4,9-10,15-17H2,1-2H3,(H,26,28)(H,27,30)