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

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[(4-propan-2-ylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(4-isopropylanilino)quinoline-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-2-(4-propan-2-ylanilino)-4-quinolinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(4-propan-2-ylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-2-cumidino-cinchoninamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3OS/c1-4-5-16-31-17-8-15-27-26(30)23-18-25(29-24-10-7-6-9-22(23)24)28-21-13-11-20(12-14-21)19(2)3/h6-7,9-14,18-19H,4-5,8,15-17H2,1-3H3,(H,27,30)(H,28,29)