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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C25H19F2N3O4S MolecularWeight: 495.497866

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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=CC(=CC=C4)F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H19F2N3O4S/c1-32-22-12-17-19(13-23(22)33-2)28-9-8-20(17)34-21-7-6-16(11-18(21)27)29-25(35)30-24(31)14-4-3-5-15(26)10-14/h3-13H,1-2H3,(H2,29,30,31,35)