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

Systemtic Name: 6-ethanoyl-N-[(4-methoxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(4-methoxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-acetyl-N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(4-methoxyphenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-acetyl-N-[(4-methoxyphenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3S/c1-16(30)18-8-13-23-21(14-18)22(15-24(28-23)17-6-4-3-5-7-17)25(31)29-26(33)27-19-9-11-20(32-2)12-10-19/h3-15H,1-2H3,(H2,27,29,31,33)