N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)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)ON(C3=CC=CC=C3F)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC=CC=C3F)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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