3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C14H10N4O5S MolecularWeight: 346.318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O5S/c19-13(9-3-1-5-11(7-9)17(20)21)16-14(24)15-10-4-2-6-12(8-10)18(22)23/h1-8H,(H2,15,16,19,24)