2-(4-acetamidophenyl)-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-acetamidophenyl)-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-acetamidophenyl)-N-[3-(methylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-N-(3-methylsulfanylphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-acetamidophenyl)-N-[3-(methylthio)phenyl]cinchoninamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H21N3O2S/c1-16(29)26-18-12-10-17(11-13-18)24-15-22(21-8-3-4-9-23(21)28-24)25(30)27-19-6-5-7-20(14-19)31-2/h3-15H,1-2H3,(H,26,29)(H,27,30)