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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C25H19FN4O6S MolecularWeight: 522.504963

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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=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C25H19FN4O6S/c1-34-22-12-17-19(13-23(22)35-2)27-10-9-20(17)36-21-8-5-15(11-18(21)26)28-25(37)29-24(31)14-3-6-16(7-4-14)30(32)33/h3-13H,1-2H3,(H2,28,29,31,37)