N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[[3-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[[3-(methylthio)phenyl]thio]-N-o-anisyl-cinchoninamide Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H22N2O2S2/c1-29-23-13-6-3-8-17(23)16-26-25(28)21-15-24(27-22-12-5-4-11-20(21)22)31-19-10-7-9-18(14-19)30-2/h3-15H,16H2,1-2H3,(H,26,28)