N-(2,2-dimethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2,2-dimethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,2-dimethoxyethyl)-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2,2-dimethoxyethyl)-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,2-dimethoxyethyl)-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,2-dimethoxyethyl)-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC(CNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H19FN2O3S/c1-25-19(26-2)12-22-20(24)16-11-18(23-17-6-4-3-5-15(16)17)27-14-9-7-13(21)8-10-14/h3-11,19H,12H2,1-2H3,(H,22,24)