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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[[3-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-[[3-(methylthio)phenyl]thio]cinchoninamide Formula: C25H21ClN2OS2 MolecularWeight: 465.03004

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2OS2/c1-30-19-5-4-6-20(15-19)31-24-16-22(21-7-2-3-8-23(21)28-24)25(29)27-14-13-17-9-11-18(26)12-10-17/h2-12,15-16H,13-14H2,1H3,(H,27,29)