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

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(3,4-dimethoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(3,4-dimethoxyanilino)cinchoninamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-4-5-14-32-15-8-13-26-25(29)20-17-24(28-21-10-7-6-9-19(20)21)27-18-11-12-22(30-2)23(16-18)31-3/h6-7,9-12,16-17H,4-5,8,13-15H2,1-3H3,(H,26,29)(H,27,28)