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

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(4-methoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(4-methoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(4-methoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(p-anisidino)cinchoninamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29N3O2S/c1-3-4-15-30-16-7-14-25-24(28)21-17-23(27-22-9-6-5-8-20(21)22)26-18-10-12-19(29-2)13-11-18/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,25,28)(H,26,27)