3-nitro-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C15H11N5O6S MolecularWeight: 389.34274

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O6S/c21-13(10-2-1-3-12(8-10)20(25)26)16-15(27)18-17-14(22)9-4-6-11(7-5-9)19(23)24/h1-8H,(H,17,22)(H2,16,18,21,27)