S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methyl-2-oxidanyl-propanethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-methyl-2-oxidanyl-propanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-hydroxy-2-methyl-propanethioate CAS Name: 2-hydroxy-2-methylpropanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-hydroxy-2-methylpropanethioate Traditional Name: 2-hydroxy-2-methyl-propanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO3S/c1-16(2)12-15-22(13-8-5-9-14-22)19(24)23-17-10-6-7-11-18(17)27-20(25)21(3,4)26/h6-7,10-11,16,26H,5,8-9,12-15H2,1-4H3,(H,23,24)