N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-cyclopropanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-phenylcyclopropane-1-carboxamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-2-phenyl-cyclopropanecarboxamide Formula: C27H24N4O4S MolecularWeight: 500.56886

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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)C4CC4C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4CC4C5=CC=CC=C5)OC

InChI

InChI=1S/C27H24N4O4S/c1-33-23-13-21-22(14-24(23)34-2)28-15-29-26(21)35-18-10-8-17(9-11-18)30-27(36)31-25(32)20-12-19(20)16-6-4-3-5-7-16/h3-11,13-15,19-20H,12H2,1-2H3,(H2,30,31,32,36)