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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C23H35NO2S MolecularWeight: 389.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO2S/c1-17(2)13-16-23(14-9-6-10-15-23)20(25)24-18-11-7-8-12-19(18)27-21(26)22(3,4)5/h7-8,11-12,17H,6,9-10,13-16H2,1-5H3,(H,24,25)