N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]thiocarbamoyl]-piperonylamide Formula: C26H20FN3O6S MolecularWeight: 521.516903

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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)C4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C26H20FN3O6S/c1-32-22-11-16-18(12-23(22)33-2)28-8-7-19(16)36-20-6-4-15(10-17(20)27)29-26(37)30-25(31)14-3-5-21-24(9-14)35-13-34-21/h3-12H,13H2,1-2H3,(H2,29,30,31,37)