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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C21H23N5O2S/c1-27-18-12-16-17(13-19(18)28-2)22-14-23-20(16)25-8-10-26(11-9-25)21(29)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,24,29)