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

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]cinchoninamide Formula: C22H20F2N2O3S MolecularWeight: 430.467606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F2N2O3S/c1-28-19-10-13(6-9-18(19)29-22(23)24)12-30-20-11-16(21(27)25-14-7-8-14)15-4-2-3-5-17(15)26-20/h2-6,9-11,14,22H,7-8,12H2,1H3,(H,25,27)