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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylbutyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylbutyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-phenylbutyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylbutyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenylbutyl)piperazine-1-carbothioamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H31N5O2S/c1-31-22-16-20-21(17-23(22)32-2)27-18-28-24(20)29-12-14-30(15-13-29)25(33)26-11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,16-18H,6-7,10-15H2,1-2H3,(H,26,33)