N-cyclopropyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[(3-fluoro-4-methoxy-benzyl)thio]cinchoninamide Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O2S/c1-26-19-9-6-13(10-17(19)22)12-27-20-11-16(21(25)23-14-7-8-14)15-4-2-3-5-18(15)24-20/h2-6,9-11,14H,7-8,12H2,1H3,(H,23,25)