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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-phenoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-phenoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[(4-phenoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-phenoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxybenzyl)piperazine-1-carbothioamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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)OC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O3S/c1-34-25-16-23-24(17-26(25)35-2)30-19-31-27(23)32-12-14-33(15-13-32)28(37)29-18-20-8-10-22(11-9-20)36-21-6-4-3-5-7-21/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,37)