6-ethanoyl-2-(4-nitrophenyl)-N-[[(4-nitrophenyl)amino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-2-(4-nitrophenyl)-N-[[(4-nitrophenyl)amino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-2-(4-nitrophenyl)-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-N-[(4-nitroanilino)thiocarbamoyl]-2-(4-nitrophenyl)cinchoninamide Formula: C25H18N6O6S MolecularWeight: 530.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O6S/c1-14(32)16-4-11-22-20(12-16)21(13-23(26-22)15-2-7-18(8-3-15)30(34)35)24(33)27-25(38)29-28-17-5-9-19(10-6-17)31(36)37/h2-13,28H,1H3,(H2,27,29,33,38)