N,N-dibutyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N,N-dibutyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N,N-dibutyl-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N,N-dibutyl-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N,N-dibutyl-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N,N-dibutyl-2-(p-phenetylthio)cinchoninamide Formula: C26H32N2O2S MolecularWeight: 436.60948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O2S/c1-4-7-17-28(18-8-5-2)26(29)23-19-25(27-24-12-10-9-11-22(23)24)31-21-15-13-20(14-16-21)30-6-3/h9-16,19H,4-8,17-18H2,1-3H3