(2Z)-2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (2Z)-2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2Z)-2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (2Z)-2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2Z)-2-[(4-cyanophenyl)methoxyimino]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2Z)-2-(4-cyanobenzyl)oximino-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NOCC2=CC=C(C=C2)C#N)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=N/OCC2=CC=C(C=C2)C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-23-20(27)21(18-5-4-12-24-14-18)11-3-2-6-19(21)25-26-15-17-9-7-16(13-22)8-10-17/h4-5,7-10,12,14H,2-3,6,11,15H2,1H3,(H,23,27)/b25-19-