3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3-nitro-benzamide Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O4S/c20-12(10-2-1-3-11(8-10)19(22)23)16-14(24)18-17-13(21)9-4-6-15-7-5-9/h1-8H,(H,17,21)(H2,16,18,20,24)