(1S,2R)-N-methyl-2-(2-phenylazanylethyl)-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (1S,2R)-N-methyl-2-(2-phenylazanylethyl)-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-2-(2-anilinoethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-2-(2-anilinoethyl)-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-2-(2-anilinoethyl)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-(2-anilinoethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@]1(CCCC[C@@H]1CCNC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3S/c1-22-20(25)21(18-9-7-14-23-16-18)13-6-5-8-17(21)12-15-24-19-10-3-2-4-11-19/h2-4,7,9-11,14,16-17,24H,5-6,8,12-13,15H2,1H3,(H,22,25)/t17-,21+/m1/s1