N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3OS/c1-31-20-6-4-5-19(15-20)28-24-16-22(21-7-2-3-8-23(21)29-24)25(30)27-14-13-17-9-11-18(26)12-10-17/h2-12,15-16H,13-14H2,1H3,(H,27,30)(H,28,29)