S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,6-dimethylbenzenecarbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,6-dimethylbenzenecarbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2,6-dimethylbenzenecarbothioate CAS Name: 2,6-dimethylbenzenecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2,6-dimethylbenzenecarbothioate Traditional Name: 2,6-dimethylthiobenzoic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C27H35NO2S MolecularWeight: 437.6373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)CCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)CCC(C)C

InChI

InChI=1S/C27H35NO2S/c1-19(2)15-18-27(16-8-5-9-17-27)26(30)28-22-13-6-7-14-23(22)31-25(29)24-20(3)11-10-12-21(24)4/h6-7,10-14,19H,5,8-9,15-18H2,1-4H3,(H,28,30)