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

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(2-ethylanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(2-ethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(2-ethylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-(2-ethylanilino)cinchoninamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3CC

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC=CC=C3CC

InChI

InChI=1S/C25H31N3OS/c1-3-5-16-30-17-10-15-26-25(29)21-18-24(28-23-14-9-7-12-20(21)23)27-22-13-8-6-11-19(22)4-2/h6-9,11-14,18H,3-5,10,15-17H2,1-2H3,(H,26,29)(H,27,28)