N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-(trifluoromethyl)benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-(trifluoromethyl)benzamide Formula: C26H20F3N3O4S MolecularWeight: 527.51491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C26H20F3N3O4S/c1-34-22-13-18-20(14-23(22)35-2)30-12-11-21(18)36-16-9-7-15(8-10-16)31-25(37)32-24(33)17-5-3-4-6-19(17)26(27,28)29/h3-14H,1-2H3,(H2,31,32,33,37)