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

Systemtic Name: 4-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-nitro-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-nitro-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-nitro-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c19-13(11-3-5-12(6-4-11)18(20)21)17-14(22)16-9-10-2-1-7-15-8-10/h1-8H,9H2,(H2,16,17,19,22)