S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 3,5-dimethyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 3,5-dimethyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 4-hydroxy-3,5-dimethyl-benzenecarbothioate CAS Name: 4-hydroxy-3,5-dimethylbenzenecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 4-hydroxy-3,5-dimethylbenzenecarbothioate Traditional Name: 4-hydroxy-3,5-dimethyl-thiobenzoic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)CCC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)CCC(C)C

InChI

InChI=1S/C27H35NO3S/c1-18(2)12-15-27(13-8-5-9-14-27)26(31)28-22-10-6-7-11-23(22)32-25(30)21-16-19(3)24(29)20(4)17-21/h6-7,10-11,16-18,29H,5,8-9,12-15H2,1-4H3,(H,28,31)