N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-3-(trifluoromethyl)benzamide Formula: C25H19F3N4O4S MolecularWeight: 528.50297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C25H19F3N4O4S/c1-34-20-11-18-19(12-21(20)35-2)29-13-30-23(18)36-17-8-6-16(7-9-17)31-24(37)32-22(33)14-4-3-5-15(10-14)25(26,27)28/h3-13H,1-2H3,(H2,31,32,33,37)