2-(2-methylsulfanylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamide CAS Name: 2-[[2-(methylthio)phenyl]thio]-N-(2-oxolanylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(2-methylsulfanylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(methylthio)phenyl]thio]-N-(tetrahydrofurfuryl)cinchoninamide Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4

Isomeric SMILES

CSC1=CC=CC=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H22N2O2S2/c1-27-19-10-4-5-11-20(19)28-21-13-17(16-8-2-3-9-18(16)24-21)22(25)23-14-15-7-6-12-26-15/h2-5,8-11,13,15H,6-7,12,14H2,1H3,(H,23,25)