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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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