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

Systemtic Name: 6-ethanoyl-N-[(3-methylphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-acetyl-N-(m-tolylcarbamothioyl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(3-methylanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(3-methylphenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-acetyl-N-(m-tolylthiocarbamoyl)-2-phenyl-cinchoninamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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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=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=CC=C4

InChI

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