N-(3-butylsulfanylpropyl)-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(2-methylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(2-methylanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(2-methylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(2-methylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(o-toluidino)cinchoninamide Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3C

InChI

InChI=1S/C24H29N3OS/c1-3-4-15-29-16-9-14-25-24(28)20-17-23(26-21-12-7-5-10-18(21)2)27-22-13-8-6-11-19(20)22/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,25,28)(H,26,27)