N-[(4-fluorophenyl)methyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-[3-(methylthio)anilino]cinchoninamide Formula: C24H20FN3OS MolecularWeight: 417.498503

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3OS/c1-30-19-6-4-5-18(13-19)27-23-14-21(20-7-2-3-8-22(20)28-23)24(29)26-15-16-9-11-17(25)12-10-16/h2-14H,15H2,1H3,(H,26,29)(H,27,28)