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

Systemtic Name: 6-ethanoyl-N-[(2-methylphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(o-tolylcarbamothioyl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(2-methylanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(2-methylphenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-acetyl-N-(o-tolylthiocarbamoyl)-2-phenyl-cinchoninamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O2S/c1-16-8-6-7-11-22(16)28-26(32)29-25(31)21-15-24(18-9-4-3-5-10-18)27-23-13-12-19(17(2)30)14-20(21)23/h3-15H,1-2H3,(H2,28,29,31,32)