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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C23H25N5O3S/c1-15(29)16-4-6-17(7-5-16)26-23(32)28-10-8-27(9-11-28)22-18-12-20(30-2)21(31-3)13-19(18)24-14-25-22/h4-7,12-14H,8-11H2,1-3H3,(H,26,32)