6-ethanoyl-N-[(4-methoxyphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-[(4-methoxyphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(4-methoxyphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-(4-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(4-methoxyphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-N-[(4-methoxyphenyl)thiocarbamoyl]-2-(4-nitrophenyl)cinchoninamide Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NC(=S)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O5S/c1-15(31)17-5-12-23-21(13-17)22(14-24(28-23)16-3-8-19(9-4-16)30(33)34)25(32)29-26(36)27-18-6-10-20(35-2)11-7-18/h3-14H,1-2H3,(H2,27,29,32,36)