2-[(3-methylsulfanylphenyl)amino]-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C30H34N4OS MolecularWeight: 498.68216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N4OS/c1-22(2)34(21-23-11-5-4-6-12-23)18-10-17-31-30(35)27-20-29(33-28-16-8-7-15-26(27)28)32-24-13-9-14-25(19-24)36-3/h4-9,11-16,19-20,22H,10,17-18,21H2,1-3H3,(H,31,35)(H,32,33)