4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(2-pyridinyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-pyridin-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-pyridyl)phenyl]piperazine-1-carbothioamide Formula: C26H26N6O2S MolecularWeight: 486.58864

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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)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C5=CC=CC=N5)OC

InChI

InChI=1S/C26H26N6O2S/c1-33-23-15-20-22(16-24(23)34-2)28-17-29-25(20)31-11-13-32(14-12-31)26(35)30-19-8-6-18(7-9-19)21-5-3-4-10-27-21/h3-10,15-17H,11-14H2,1-2H3,(H,30,35)