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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] pyridine-2-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] pyridine-2-carbothioate CAS Name: 2-pyridinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] pyridine-2-carbothioate Traditional Name: pyridine-2-carbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=CC=N3

InChI

InChI=1S/C24H30N2O2S/c1-18(2)13-16-24(14-7-3-8-15-24)23(28)26-19-10-4-5-12-21(19)29-22(27)20-11-6-9-17-25-20/h4-6,9-12,17-18H,3,7-8,13-16H2,1-2H3,(H,26,28)