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

Systemtic Name: (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-2-[(2E)-2-benzyloxyiminoethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-N-methyl-2-[(2E)-2-phenylmethoxyiminoethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-[(2E)-2-benzyloximinoethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CC=NOCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)[C@]1(CCCC[C@@H]1C/C=N/OCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-23-21(27)22(20-11-7-14-24-16-20)13-6-5-10-19(22)12-15-25-26-17-18-8-3-2-4-9-18/h2-4,7-9,11,14-16,19H,5-6,10,12-13,17H2,1H3,(H,23,27)/b25-15+/t19-,22+/m1/s1