N-cyclopropyl-2-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]cinchoninamide Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)F

InChI

InChI=1S/C22H19FN2O3S/c1-28-20-9-6-13(10-17(20)23)19(26)12-29-21-11-16(22(27)24-14-7-8-14)15-4-2-3-5-18(15)25-21/h2-6,9-11,14H,7-8,12H2,1H3,(H,24,27)