4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C21H24N6O4S2 MolecularWeight: 488.58306

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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)S(=O)(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4S2/c1-30-18-11-16-17(12-19(18)31-2)23-13-24-20(16)26-7-9-27(10-8-26)21(32)25-14-3-5-15(6-4-14)33(22,28)29/h3-6,11-13H,7-10H2,1-2H3,(H,25,32)(H2,22,28,29)