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

Systemtic Name: (2Z)-N-methyl-2-[(4-nitrophenyl)methoxyimino]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2Z)-N-methyl-2-[(4-nitrophenyl)methoxyimino]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (2Z)-N-methyl-2-[(4-nitrophenyl)methoxyimino]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2Z)-N-methyl-2-[(4-nitrophenyl)methoxyimino]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2Z)-N-methyl-2-(4-nitrobenzyl)oximino-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=N/OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-21-19(28)20(16-5-4-12-22-13-16)11-3-2-6-18(20)23-27-14-15-7-9-17(10-8-15)24(25)26/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,21,28)/b23-18-