(1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-2-[(E)-cinnamyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-[(E)-cinnamyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H26N2S MolecularWeight: 350.52024

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CC=CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2S/c1-23-21(25)22(20-14-8-16-24-17-20)15-6-5-12-19(22)13-7-11-18-9-3-2-4-10-18/h2-4,7-11,14,16-17,19H,5-6,12-13,15H2,1H3,(H,23,25)/b11-7+/t19-,22+/m1/s1