S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-phenyl-propanethioate

Systemtic Name: S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-phenyl-propanethioate Openeye Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-phenyl-propanethioate CAS Name: 2-acetamido-3-phenylpropanethioic acid S-[4,5-dichloro-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-phenylpropanethioate Traditional Name: 2-acetamido-3-phenyl-propanethioic acid S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H28Cl2N2O3S MolecularWeight: 507.47242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28Cl2N2O3S/c1-16(30)28-21(13-17-9-5-3-6-10-17)23(31)33-22-15-19(27)18(26)14-20(22)29-24(32)25(2)11-7-4-8-12-25/h3,5-6,9-10,14-15,21H,4,7-8,11-13H2,1-2H3,(H,28,30)(H,29,32)