N-(furan-2-ylmethyl)-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-furylmethyl)-2-(3-methylsulfanylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2-furanylmethyl)-2-[[3-(methylthio)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-(3-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2-furfuryl)-2-[[3-(methylthio)phenyl]thio]cinchoninamide Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4

Isomeric SMILES

CSC1=CC=CC(=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H18N2O2S2/c1-27-16-7-4-8-17(12-16)28-21-13-19(18-9-2-3-10-20(18)24-21)22(25)23-14-15-6-5-11-26-15/h2-13H,14H2,1H3,(H,23,25)