4-ethoxy-3-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-ethoxy-3-nitro-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-ethoxy-3-nitro-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-ethoxy-3-nitro-N-(3-pyridylmethylthiocarbamoyl)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)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-14-6-5-12(8-13(14)20(22)23)15(21)19-16(25)18-10-11-4-3-7-17-9-11/h3-9H,2,10H2,1H3,(H2,18,19,21,25)