2-(4-ethoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[2-(p-tolyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[2-(4-methylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(p-phenetylthio)-N-[2-(p-tolyl)ethyl]cinchoninamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O2S/c1-3-31-21-12-14-22(15-13-21)32-26-18-24(23-6-4-5-7-25(23)29-26)27(30)28-17-16-20-10-8-19(2)9-11-20/h4-15,18H,3,16-17H2,1-2H3,(H,28,30)