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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,2-diphenylethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,2-diphenylethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(1,2-diphenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,2-diphenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(1,2-diphenylethyl)piperazine-1-carbothioamide Formula: C29H31N5O2S MolecularWeight: 513.65374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H31N5O2S/c1-35-26-18-23-25(19-27(26)36-2)30-20-31-28(23)33-13-15-34(16-14-33)29(37)32-24(22-11-7-4-8-12-22)17-21-9-5-3-6-10-21/h3-12,18-20,24H,13-17H2,1-2H3,(H,32,37)