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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

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