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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methylpropanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO2S/c1-16(2)12-15-22(13-8-5-9-14-22)21(25)23-18-10-6-7-11-19(18)26-20(24)17(3)4/h6-7,10-11,16-17H,5,8-9,12-15H2,1-4H3,(H,23,25)