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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-(p-phenetylthio)cinchoninamide Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S/c1-2-31-20-11-13-21(14-12-20)32-25-17-23(22-5-3-4-6-24(22)29-25)26(30)28-16-15-18-7-9-19(27)10-8-18/h3-14,17H,2,15-16H2,1H3,(H,28,30)