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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-acetamidocyclohexane-1-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 1-acetamidocyclohexanecarbothioate CAS Name: 1-acetamido-1-cyclohexanecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-acetamidocyclohexane-1-carbothioate Traditional Name: 1-acetamidocyclohexanecarbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C27H40N2O3S MolecularWeight: 472.6831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3(CCCCC3)NC(=O)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3(CCCCC3)NC(=O)C

InChI

InChI=1S/C27H40N2O3S/c1-20(2)14-19-26(15-8-4-9-16-26)24(31)28-22-12-6-7-13-23(22)33-25(32)27(29-21(3)30)17-10-5-11-18-27/h6-7,12-13,20H,4-5,8-11,14-19H2,1-3H3,(H,28,31)(H,29,30)