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

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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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)C4CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4CC4)OC

InChI

InChI=1S/C21H20N4O4S/c1-27-17-9-15-16(10-18(17)28-2)22-11-23-20(15)29-14-7-5-13(6-8-14)24-21(30)25-19(26)12-3-4-12/h5-12H,3-4H2,1-2H3,(H2,24,25,26,30)