6-ethanoyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(m-tolylcarbamothioyl)-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(3-methylanilino)-sulfanylidenemethyl]-2-(4-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-N-(m-tolylthiocarbamoyl)-2-(4-nitrophenyl)cinchoninamide Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O4S/c1-15-4-3-5-19(12-15)27-26(35)29-25(32)22-14-24(17-6-9-20(10-7-17)30(33)34)28-23-11-8-18(16(2)31)13-21(22)23/h3-14H,1-2H3,(H2,27,29,32,35)