N-(3-butylsulfanylpropyl)-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(3,5-dimethylanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(3,5-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(3,5-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(3,5-dimethylanilino)cinchoninamide Formula: C25H31N3OS MolecularWeight: 421.59814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-4-5-12-30-13-8-11-26-25(29)22-17-24(28-23-10-7-6-9-21(22)23)27-20-15-18(2)14-19(3)16-20/h6-7,9-10,14-17H,4-5,8,11-13H2,1-3H3,(H,26,29)(H,27,28)