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

Systemtic Name: 3-nitro-N-(pyridin-4-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-N-(4-pyridylcarbamothioyl)benzamide CAS Name: 3-nitro-N-[(pyridin-4-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-(pyridin-4-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-N-(4-pyridylthiocarbamoyl)benzamide Formula: C13H10N4O3S MolecularWeight: 302.3085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C13H10N4O3S/c18-12(9-2-1-3-11(8-9)17(19)20)16-13(21)15-10-4-6-14-7-5-10/h1-8H,(H2,14,15,16,18,21)