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

Systemtic Name: N-(3-methylbutyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-isopentyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-(3-methylbutyl)-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-(3-methylbutyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-isoamyl-2-[3-(methylthio)anilino]cinchoninamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-15(2)11-12-23-22(26)19-14-21(25-20-10-5-4-9-18(19)20)24-16-7-6-8-17(13-16)27-3/h4-10,13-15H,11-12H2,1-3H3,(H,23,26)(H,24,25)