6-ethanoyl-2-(4-nitrophenyl)-N-(phenylazanylcarbamothioyl)quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-2-(4-nitrophenyl)-N-(phenylazanylcarbamothioyl)quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(anilinocarbamothioyl)-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-2-(4-nitrophenyl)-N-[(phenylhydrazo)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-(anilinocarbamothioyl)-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(anilinothiocarbamoyl)-2-(4-nitrophenyl)cinchoninamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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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=CC=C3)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=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O4S/c1-15(31)17-9-12-22-20(13-17)21(14-23(26-22)16-7-10-19(11-8-16)30(33)34)24(32)27-25(35)29-28-18-5-3-2-4-6-18/h2-14,28H,1H3,(H2,27,29,32,35)