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

Systemtic Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl]ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl]ethyl]-2-phenyl-acetamide CAS Name: N-[2-[(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl]ethyl]-2-phenylacetamide IUPAC Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl]ethyl]-2-phenylacetamide Traditional Name: N-[2-[(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl]ethyl]-2-phenyl-acetamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNC(=O)CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS/c1-24-22(28)23(20-11-7-14-25-17-20)13-6-5-10-19(23)12-15-26-21(27)16-18-8-3-2-4-9-18/h2-4,7-9,11,14,17,19H,5-6,10,12-13,15-16H2,1H3,(H,24,28)(H,26,27)/t19-,23+/m1/s1