[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,2-dimethylpropanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,2-dimethylpropanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

CC(C)(C)C(=O)O[C@@H]1CCCC[C@@]1(C2=CN=CC=C2)C(=S)NC

InChI

InChI=1S/C18H26N2O2S/c1-17(2,3)16(21)22-14-9-5-6-10-18(14,15(23)19-4)13-8-7-11-20-12-13/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,19,23)/t14-,18+/m1/s1