N-[(4-nitrophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(4-nitrophenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O3S/c28-22(26-23(31)24-16-10-12-17(13-11-16)27(29)30)19-14-21(15-6-2-1-3-7-15)25-20-9-5-4-8-18(19)20/h1-14H,(H2,24,26,28,31)