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

Systemtic Name: 3-nitro-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5S/c20-13(9-2-1-3-12(8-9)19(23)24)15-14(25)17-16-10-4-6-11(7-5-10)18(21)22/h1-8,16H,(H2,15,17,20,25)