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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S2/c1-28-19-12-17-18(13-20(19)29-2)23-14-24-21(17)26-8-10-27(11-9-26)22(30)25-15-4-6-16(31-3)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,25,30)