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

Systemtic Name: N-butyl-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-butyl-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-butyl-2-[3-(methylthio)anilino]cinchoninamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H23N3OS/c1-3-4-12-22-21(25)18-14-20(24-19-11-6-5-10-17(18)19)23-15-8-7-9-16(13-15)26-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,25)(H,23,24)