N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-homoveratryl-2-(p-tolylthio)cinchoninamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O3S/c1-18-8-11-20(12-9-18)33-26-17-22(21-6-4-5-7-23(21)29-26)27(30)28-15-14-19-10-13-24(31-2)25(16-19)32-3/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)