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

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C24H19FN4O4S MolecularWeight: 478.495463

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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=C(C=C4)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H19FN4O4S/c1-31-20-11-18-19(12-21(20)32-2)26-13-27-23(18)33-17-9-7-16(8-10-17)28-24(34)29-22(30)14-3-5-15(25)6-4-14/h3-13H,1-2H3,(H2,28,29,30,34)