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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholinophenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[2-(4-morpholinyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-morpholinophenyl)piperazine-1-carbothioamide Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4N5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4N5CCOCC5)OC

InChI

InChI=1S/C25H30N6O3S/c1-32-22-15-18-20(16-23(22)33-2)26-17-27-24(18)30-7-9-31(10-8-30)25(35)28-19-5-3-4-6-21(19)29-11-13-34-14-12-29/h3-6,15-17H,7-14H2,1-2H3,(H,28,35)