N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C23H15ClN4O4S MolecularWeight: 478.9076

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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(=C4O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC(=CC(=C4O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN4O4S/c24-17-10-14(28(31)32)11-20(21(17)29)26-23(33)27-22(30)16-12-19(13-6-2-1-3-7-13)25-18-9-5-4-8-15(16)18/h1-12,29H,(H2,26,27,30,33)