4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]-N-(2-oxidanylideneoxolan-3-yl)benzamide

Systemtic Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]-N-(2-oxidanylideneoxolan-3-yl)benzamide Openeye Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-N-(2-oxotetrahydrofuran-3-yl)benzamide CAS Name: 4-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-N-(2-oxo-3-oxolanyl)benzamide IUPAC Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-N-(2-oxooxolan-3-yl)benzamide Traditional Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]-N-(2-ketotetrahydrofuran-3-yl)benzamide Formula: C26H28N6O5S MolecularWeight: 536.60272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(=O)NC5CCOC5=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(=O)NC5CCOC5=O)OC

InChI

InChI=1S/C26H28N6O5S/c1-35-21-13-18-20(14-22(21)36-2)27-15-28-23(18)31-8-10-32(11-9-31)26(38)29-17-5-3-16(4-6-17)24(33)30-19-7-12-37-25(19)34/h3-6,13-15,19H,7-12H2,1-2H3,(H,29,38)(H,30,33)