4-ethoxy-N-[(3-methylpyridin-2-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(3-methylpyridin-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(3-methyl-2-pyridyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(3-methylpyridin-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(3-methyl-2-pyridyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-3-24-13-7-6-11(9-12(13)20(22)23)15(21)19-16(25)18-14-10(2)5-4-8-17-14/h4-9H,3H2,1-2H3,(H2,17,18,19,21,25)