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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-m-anisyl-2-(p-tolylthio)cinchoninamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H22N2O2S/c1-17-10-12-20(13-11-17)30-24-15-22(21-8-3-4-9-23(21)27-24)25(28)26-16-18-6-5-7-19(14-18)29-2/h3-15H,16H2,1-2H3,(H,26,28)