3,5-dinitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3,5-dinitro-benzamide Formula: C14H10N6O6S MolecularWeight: 390.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N6O6S/c21-12(9-5-10(19(23)24)7-11(6-9)20(25)26)16-14(27)18-17-13(22)8-1-3-15-4-2-8/h1-7H,(H,17,22)(H2,16,18,21,27)