N-[3-[bis(2-methylpropyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-(diisobutylamino)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(diisobutylamino)propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C28H38N4OS MolecularWeight: 478.69252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC(C)C

InChI

InChI=1S/C28H38N4OS/c1-20(2)18-32(19-21(3)4)15-9-14-29-28(33)25-17-27(31-26-13-7-6-12-24(25)26)30-22-10-8-11-23(16-22)34-5/h6-8,10-13,16-17,20-21H,9,14-15,18-19H2,1-5H3,(H,29,33)(H,30,31)