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

Systemtic Name: 2-nitro-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 2-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 2-nitro-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 2-nitro-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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