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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H25N5O3S/c1-28-16-6-4-15(5-7-16)25-22(31)27-10-8-26(9-11-27)21-17-12-19(29-2)20(30-3)13-18(17)23-14-24-21/h4-7,12-14H,8-11H2,1-3H3,(H,25,31)