N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-2-indazol-1-yl-ethanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-2-indazol-1-yl-ethanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]carbamothioyl]-2-indazol-1-yl-acetamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]-2-(1-indazolyl)acetamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-2-indazol-1-ylacetamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]thiocarbamoyl]-2-indazol-1-yl-acetamide Formula: C27H22FN5O4S MolecularWeight: 531.558083

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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)CN4C5=CC=CC=C5C=N4)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=S)NC(=O)CN4C5=CC=CC=C5C=N4)F

InChI

InChI=1S/C27H22FN5O4S/c1-35-24-12-18-21(13-25(24)36-2)29-10-9-23(18)37-17-7-8-20(19(28)11-17)31-27(38)32-26(34)15-33-22-6-4-3-5-16(22)14-30-33/h3-14H,15H2,1-2H3,(H2,31,32,34,38)