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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamidobutanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-acetamidobutanethioate CAS Name: 2-acetamidobutanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-acetamidobutanethioate Traditional Name: 2-acetamidobutanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C24H36N2O3S MolecularWeight: 432.61924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O3S/c1-5-19(25-18(4)27)22(28)30-21-12-8-7-11-20(21)26-23(29)24(16-13-17(2)3)14-9-6-10-15-24/h7-8,11-12,17,19H,5-6,9-10,13-16H2,1-4H3,(H,25,27)(H,26,29)