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

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 1-phenylcyclopropane-1-carboxylate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2(CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)C2(CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H26N2O2S/c1-24-20(28)23(18-10-7-15-25-16-18)12-6-5-11-19(23)27-21(26)22(13-14-22)17-8-3-2-4-9-17/h2-4,7-10,15-16,19H,5-6,11-14H2,1H3,(H,24,28)/t19-,23+/m1/s1