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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamido-3-phenyl-propanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-phenyl-propanethioate CAS Name: 2-acetamido-3-phenylpropanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-acetamido-3-phenylpropanethioate Traditional Name: 2-acetamido-3-phenyl-propanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C29H38N2O3S/c1-21(2)16-19-29(17-10-5-11-18-29)28(34)31-24-14-8-9-15-26(24)35-27(33)25(30-22(3)32)20-23-12-6-4-7-13-23/h4,6-9,12-15,21,25H,5,10-11,16-20H2,1-3H3,(H,30,32)(H,31,34)