2-(4-acetamidophenyl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(4-acetamidophenyl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(4-acetamidophenyl)-N-[[4-(methylthio)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(4-acetamidophenyl)-N-[4-(methylthio)benzyl]cinchoninamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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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)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H23N3O2S/c1-17(30)28-20-11-9-19(10-12-20)25-15-23(22-5-3-4-6-24(22)29-25)26(31)27-16-18-7-13-21(32-2)14-8-18/h3-15H,16H2,1-2H3,(H,27,31)(H,28,30)