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

Systemtic Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl]ethyl]benzamide Openeye Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl]ethyl]benzamide CAS Name: N-[2-[(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl]ethyl]benzamide IUPAC Name: N-[2-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl]ethyl]benzamide Traditional Name: N-[2-[(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl]ethyl]benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-23-21(27)22(19-11-7-14-24-16-19)13-6-5-10-18(22)12-15-25-20(26)17-8-3-2-4-9-17/h2-4,7-9,11,14,16,18H,5-6,10,12-13,15H2,1H3,(H,23,27)(H,25,26)/t18-,22+/m1/s1