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

Systemtic Name: N-[(2-nitrophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(2-nitrophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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