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

Systemtic Name: S-[4,5-bis(chloranyl)-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamidobutanethioate Openeye Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamidobutanethioate CAS Name: 2-acetamidobutanethioic acid S-[4,5-dichloro-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamidobutanethioate Traditional Name: 2-acetamidobutanethioic acid S-[4,5-dichloro-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C20H26Cl2N2O3S MolecularWeight: 445.40304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N2O3S/c1-4-15(23-12(2)25)18(26)28-17-11-14(22)13(21)10-16(17)24-19(27)20(3)8-6-5-7-9-20/h10-11,15H,4-9H2,1-3H3,(H,23,25)(H,24,27)