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

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4OS/c1-3-4-19-35(23-24-12-6-5-7-13-24)20-11-18-32-31(36)28-22-30(34-29-17-9-8-16-27(28)29)33-25-14-10-15-26(21-25)37-2/h5-10,12-17,21-22H,3-4,11,18-20,23H2,1-2H3,(H,32,36)(H,33,34)