N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylfuran-2-carboxamide

Systemtic Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylfuran-2-carboxamide Openeye Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]-2-furamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C20H21N5O4S/c1-27-16-10-13-14(11-17(16)28-2)21-12-22-18(13)24-5-7-25(8-6-24)20(30)23-19(26)15-4-3-9-29-15/h3-4,9-12H,5-8H2,1-2H3,(H,23,26,30)