S-[4-cyano-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[4-cyano-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[4-cyano-2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[4-cyano-2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-cyano-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[4-cyano-2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C#N)SC(=O)C(C)(C)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C#N)SC(=O)C(C)(C)C

InChI

InChI=1S/C24H34N2O2S/c1-17(2)11-14-24(12-7-6-8-13-24)21(27)26-19-15-18(16-25)9-10-20(19)29-22(28)23(3,4)5/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,26,27)