N-[3-[butyl(methyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[3-[butyl(methyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-[butyl(methyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[3-[butyl(methyl)amino]propyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[3-[butyl(methyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-[butyl(methyl)amino]propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-4-5-15-29(2)16-9-14-26-25(30)22-18-24(28-23-13-7-6-12-21(22)23)27-19-10-8-11-20(17-19)31-3/h6-8,10-13,17-18H,4-5,9,14-16H2,1-3H3,(H,26,30)(H,27,28)