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

Systemtic Name: (2Z)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (2Z)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (2Z)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (2Z)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (2Z)-N-methyl-2-[2-(4-nitrophenoxy)ethylidene]-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1=CCOC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C\1(CCCC/C1=C/COC2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-22-20(28)21(17-6-4-13-23-15-17)12-3-2-5-16(21)11-14-27-19-9-7-18(8-10-19)24(25)26/h4,6-11,13,15H,2-3,5,12,14H2,1H3,(H,22,28)/b16-11-