S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-methylpiperidine-4-carbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-methylpiperidine-4-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 1-methylpiperidine-4-carbothioate CAS Name: 1-methyl-4-piperidinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-methylpiperidine-4-carbothioate Traditional Name: 1-methylpiperidine-4-carbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H38N2O2S MolecularWeight: 430.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCN(CC3)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCN(CC3)C

InChI

InChI=1S/C25H38N2O2S/c1-19(2)11-16-25(14-7-4-8-15-25)24(29)26-21-9-5-6-10-22(21)30-23(28)20-12-17-27(3)18-13-20/h5-6,9-10,19-20H,4,7-8,11-18H2,1-3H3,(H,26,29)