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

Systemtic Name: 6-ethanoyl-N-[[(2-methylphenyl)amino]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(2-methylanilino)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-acetyl-N-[[(2-methylphenyl)hydrazo]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(2-methylanilino)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-acetyl-N-(o-toluidinothiocarbamoyl)-2-phenyl-cinchoninamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NNC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NNC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-16-8-6-7-11-22(16)29-30-26(33)28-25(32)21-15-24(18-9-4-3-5-10-18)27-23-13-12-19(17(2)31)14-20(21)23/h3-15,29H,1-2H3,(H2,28,30,32,33)