4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(phenylcarbonyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-benzoylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(4-benzoylphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-benzoylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-benzoylphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C28H27N5O3S MolecularWeight: 513.61068

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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)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N5O3S/c1-35-24-16-22-23(17-25(24)36-2)29-18-30-27(22)32-12-14-33(15-13-32)28(37)31-21-10-8-20(9-11-21)26(34)19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,31,37)