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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-phenethyl-piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N5O2S/c1-29-20-14-18-19(15-21(20)30-2)25-16-26-22(18)27-10-12-28(13-11-27)23(31)24-9-8-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,24,31)