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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-(p-tolylmethyl)quinoline-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[2-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(4-methylbenzyl)-2-[[2-(methylthio)phenyl]thio]cinchoninamide Formula: C25H22N2OS2 MolecularWeight: 430.58498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4SC

InChI

InChI=1S/C25H22N2OS2/c1-17-11-13-18(14-12-17)16-26-25(28)20-15-24(27-21-8-4-3-7-19(20)21)30-23-10-6-5-9-22(23)29-2/h3-15H,16H2,1-2H3,(H,26,28)