4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]piperazine-1-carbothioamide Formula: C20H25N7O2S MolecularWeight: 427.5232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CN=CN4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CN=CN4)OC

InChI

InChI=1S/C20H25N7O2S/c1-28-17-9-15-16(10-18(17)29-2)24-13-25-19(15)26-5-7-27(8-6-26)20(30)22-4-3-14-11-21-12-23-14/h9-13H,3-8H2,1-2H3,(H,21,23)(H,22,30)