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

Systemtic Name: 2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl]ethyl ethanoate Openeye Name: 2-[(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl]ethyl acetate CAS Name: acetic acid 2-[(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl]ethyl ester IUPAC Name: 2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl]ethyl acetate Traditional Name: acetic acid 2-[(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl]ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-13(20)21-11-8-14-6-3-4-9-17(14,16(22)18-2)15-7-5-10-19-12-15/h5,7,10,12,14H,3-4,6,8-9,11H2,1-2H3,(H,18,22)/t14-,17+/m1/s1