3-[(6-oxidanylquinolin-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-[(6-oxidanylquinolin-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide Openeye Name: 3-[(6-hydroxy-4-quinolyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide CAS Name: 3-[(6-hydroxy-4-quinolinyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-[(6-hydroxyquinolin-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Traditional Name: 3-[(6-hydroxy-4-quinolyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Formula: C22H16F3N3O3S MolecularWeight: 459.44095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CS2)NCC3=C4C=C(C=CC4=NC=C3)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CS2)NCC3=C4C=C(C=CC4=NC=C3)O)OC(F)(F)F

InChI

InChI=1S/C22H16F3N3O3S/c23-22(24,25)31-16-4-1-14(2-5-16)28-21(30)20-19(8-10-32-20)27-12-13-7-9-26-18-6-3-15(29)11-17(13)18/h1-11,27,29H,12H2,(H,28,30)