N-(3-butylsulfanylpropyl)-2-[(4-ethoxyphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(4-ethoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(4-ethoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(4-ethoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(4-ethoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(p-phenetidino)cinchoninamide Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H31N3O2S/c1-3-5-16-31-17-8-15-26-25(29)22-18-24(28-23-10-7-6-9-21(22)23)27-19-11-13-20(14-12-19)30-4-2/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3,(H,26,29)(H,27,28)