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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-phenylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-phenylpropyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-phenylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-phenylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-phenylpropyl)piperazine-1-carbothioamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29N5O2S/c1-30-21-15-19-20(16-22(21)31-2)26-17-27-23(19)28-11-13-29(14-12-28)24(32)25-10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-17H,6,9-14H2,1-2H3,(H,25,32)