4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-dimethylaminophenyl)azophenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(4-dimethylaminophenyl)azophenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-[(4-dimethylaminophenyl)diazenyl]phenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-dimethylaminophenyl)azophenyl]piperazine-1-carbothioamide Formula: C29H32N8O2S MolecularWeight: 556.68178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C29H32N8O2S/c1-35(2)23-11-9-22(10-12-23)34-33-21-7-5-20(6-8-21)32-29(40)37-15-13-36(14-16-37)28-24-17-26(38-3)27(39-4)18-25(24)30-19-31-28/h5-12,17-19H,13-16H2,1-4H3,(H,32,40)