[1,2,2-trimethyl-6-(methylcarbamothioyl)-6-pyridin-3-yl-cyclohexyl] ethanoate

Systemtic Name: [1,2,2-trimethyl-6-(methylcarbamothioyl)-6-pyridin-3-yl-cyclohexyl] ethanoate Openeye Name: [1,2,2-trimethyl-6-(methylcarbamothioyl)-6-(3-pyridyl)cyclohexyl] acetate CAS Name: acetic acid [1,2,2-trimethyl-6-[methylamino(sulfanylidene)methyl]-6-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [1,2,2-trimethyl-6-(methylcarbamothioyl)-6-pyridin-3-ylcyclohexyl] acetate Traditional Name: acetic acid [1,2,2-trimethyl-6-(methylthiocarbamoyl)-6-(3-pyridyl)cyclohexyl] ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(CCCC1(C2=CN=CC=C2)C(=S)NC)(C)C)C

Isomeric SMILES

CC(=O)OC1(C(CCCC1(C2=CN=CC=C2)C(=S)NC)(C)C)C

InChI

InChI=1S/C18H26N2O2S/c1-13(21)22-17(4)16(2,3)9-7-10-18(17,15(23)19-5)14-8-6-11-20-12-14/h6,8,11-12H,7,9-10H2,1-5H3,(H,19,23)