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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-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=C3)F)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=C3)F)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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