N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)piperazine-1-carbothioamide Traditional Name: N-(1,4-diketo-2,3-dihydrophthalazin-6-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H23N7O4S MolecularWeight: 493.53822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)C(=O)NNC5=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)C(=O)NNC5=O)OC

InChI

InChI=1S/C23H23N7O4S/c1-33-18-10-16-17(11-19(18)34-2)24-12-25-20(16)29-5-7-30(8-6-29)23(35)26-13-3-4-14-15(9-13)22(32)28-27-21(14)31/h3-4,9-12H,5-8H2,1-2H3,(H,26,35)(H,27,31)(H,28,32)