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

Systemtic Name: N-(3-methoxypropyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-methoxypropyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-(3-methoxypropyl)-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-(3-methoxypropyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-(3-methoxypropyl)-2-[3-(methylthio)anilino]cinchoninamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-26-12-6-11-22-21(25)18-14-20(24-19-10-4-3-9-17(18)19)23-15-7-5-8-16(13-15)27-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24)