2-(2-methylsulfanylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide

Systemtic Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide Openeye Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-phenethyl-quinoline-4-carboxamide CAS Name: 2-[[2-(methylthio)phenyl]thio]-N-phenethyl-4-quinolinecarboxamide IUPAC Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-phenethylquinoline-4-carboxamide Traditional Name: 2-[[2-(methylthio)phenyl]thio]-N-phenethyl-cinchoninamide Formula: C25H22N2OS2 MolecularWeight: 430.58498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2OS2/c1-29-22-13-7-8-14-23(22)30-24-17-20(19-11-5-6-12-21(19)27-24)25(28)26-16-15-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3,(H,26,28)