S-[5-chloranyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[5-chloranyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[5-chloro-2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[5-chloro-2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[5-chloro-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[5-chloro-2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C23H34ClNO2S MolecularWeight: 424.03956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=C(C=C2)Cl)SC(=O)C(C)(C)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=C(C=C2)Cl)SC(=O)C(C)(C)C

InChI

InChI=1S/C23H34ClNO2S/c1-16(2)11-14-23(12-7-6-8-13-23)20(26)25-18-10-9-17(24)15-19(18)28-21(27)22(3,4)5/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,25,26)