2-(5-chloranylthiophen-2-yl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-[[4-(methylthio)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-[4-(methylthio)benzyl]cinchoninamide Formula: C22H17ClN2OS2 MolecularWeight: 424.96618

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H17ClN2OS2/c1-27-15-8-6-14(7-9-15)13-24-22(26)17-12-19(20-10-11-21(23)28-20)25-18-5-3-2-4-16(17)18/h2-12H,13H2,1H3,(H,24,26)