N-butyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-butyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-butyl-2-(p-phenetylthio)cinchoninamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H24N2O2S/c1-3-5-14-23-22(25)19-15-21(24-20-9-7-6-8-18(19)20)27-17-12-10-16(11-13-17)26-4-2/h6-13,15H,3-5,14H2,1-2H3,(H,23,25)