N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4CC4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4CC4)F

InChI

InChI=1S/C22H20FN3O4S/c1-28-19-10-14-16(11-20(19)29-2)24-8-7-17(14)30-18-6-5-13(9-15(18)23)25-22(31)26-21(27)12-3-4-12/h5-12H,3-4H2,1-2H3,(H2,25,26,27,31)