N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C25H20FN3O4S MolecularWeight: 477.507403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20FN3O4S/c1-31-22-13-19-20(14-23(22)32-2)27-12-11-21(19)33-18-9-7-17(8-10-18)28-25(34)29-24(30)15-3-5-16(26)6-4-15/h3-14H,1-2H3,(H2,28,29,30,34)