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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamidopentanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-acetamidopentanethioate CAS Name: 2-acetamidopentanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-acetamidopentanethioate Traditional Name: 2-acetamidopentanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3S/c1-5-11-21(26-19(4)28)23(29)31-22-13-8-7-12-20(22)27-24(30)25(17-14-18(2)3)15-9-6-10-16-25/h7-8,12-13,18,21H,5-6,9-11,14-17H2,1-4H3,(H,26,28)(H,27,30)