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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-4-nitro-benzamide Formula: C25H20N4O6S MolecularWeight: 504.5145

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H20N4O6S/c1-33-22-14-19-20(15-23(22)34-2)26-13-12-21(19)35-28(17-6-4-3-5-7-17)25(36)27-24(30)16-8-10-18(11-9-16)29(31)32/h3-15H,1-2H3,(H,27,30,36)