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

Systemtic Name: (1S,2R)-N-methyl-2-phenethyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-N-methyl-2-phenethyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H26N2S MolecularWeight: 338.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@]1(CCCC[C@@H]1CCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H26N2S/c1-22-20(24)21(19-11-7-15-23-16-19)14-6-5-10-18(21)13-12-17-8-3-2-4-9-17/h2-4,7-9,11,15-16,18H,5-6,10,12-14H2,1H3,(H,22,24)/t18-,21+/m1/s1