4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridin-3-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridin-3-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(3-pyridyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[2-(3-pyridinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridin-3-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(3-pyridyl)ethyl]piperazine-1-carbothioamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CN=CC=C4)OC

InChI

InChI=1S/C22H26N6O2S/c1-29-19-12-17-18(13-20(19)30-2)25-15-26-21(17)27-8-10-28(11-9-27)22(31)24-7-5-16-4-3-6-23-14-16/h3-4,6,12-15H,5,7-11H2,1-2H3,(H,24,31)