N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2,3-dimethylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

InChI

InChI=1S/C27H24N4O6S/c1-16-6-5-7-22(17(16)2)30(27(38)29-26(32)18-8-10-19(11-9-18)31(33)34)37-23-12-13-28-21-15-25(36-4)24(35-3)14-20(21)23/h5-15H,1-4H3,(H,29,32,38)