N-cyclopropyl-2-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[3-(2-fluorophenoxy)-2-hydroxy-propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[3-(2-fluorophenoxy)-2-hydroxy-propyl]thio]cinchoninamide Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC=C4F)O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC=C4F)O

InChI

InChI=1S/C22H21FN2O3S/c23-18-6-2-4-8-20(18)28-12-15(26)13-29-21-11-17(22(27)24-14-9-10-14)16-5-1-3-7-19(16)25-21/h1-8,11,14-15,26H,9-10,12-13H2,(H,24,27)