4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(4-sulfamoylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-sulfamoylbenzyl)piperazine-1-carbothioamide Formula: C22H26N6O4S2 MolecularWeight: 502.60964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C22H26N6O4S2/c1-31-19-11-17-18(12-20(19)32-2)25-14-26-21(17)27-7-9-28(10-8-27)22(33)24-13-15-3-5-16(6-4-15)34(23,29)30/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,33)(H2,23,29,30)