N-(5-chloranylpyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranylpyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-3-pyridyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-3-pyridinyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloropyridin-3-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-3-pyridyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C20H21ClN6O2S MolecularWeight: 444.93774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6O2S/c1-28-17-8-15-16(9-18(17)29-2)23-12-24-19(15)26-3-5-27(6-4-26)20(30)25-14-7-13(21)10-22-11-14/h7-12H,3-6H2,1-2H3,(H,25,30)