2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]cinchoninamide Formula: C25H19ClN4O4S MolecularWeight: 506.96076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN4O4S/c1-2-34-17-11-12-21(23(13-17)30(32)33)28-25(35)29-24(31)19-14-22(15-7-9-16(26)10-8-15)27-20-6-4-3-5-18(19)20/h3-14H,2H2,1H3,(H2,28,29,31,35)