N-[3-[butyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[butyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-[butyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-[butyl(methyl)amino]propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-[butyl(methyl)amino]propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-[butyl(methyl)amino]propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C24H28FN3OS MolecularWeight: 425.562023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F

InChI

InChI=1S/C24H28FN3OS/c1-3-4-15-28(2)16-7-14-26-24(29)21-17-23(27-22-9-6-5-8-20(21)22)30-19-12-10-18(25)11-13-19/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,26,29)