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

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[3-(N-methylanilino)propyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(N-methylanilino)propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-31(21-11-4-3-5-12-21)17-9-16-28-27(32)24-19-26(30-25-15-7-6-14-23(24)25)29-20-10-8-13-22(18-20)33-2/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,28,32)(H,29,30)