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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylphenyl)sulfanyl-N-(p-tolylmethyl)quinoline-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[3-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(3-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(4-methylbenzyl)-2-[[3-(methylthio)phenyl]thio]cinchoninamide Formula: C25H22N2OS2 MolecularWeight: 430.58498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)SC

InChI

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