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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethenylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-vinylphenyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(4-ethenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-vinylphenyl)piperazine-1-carbothioamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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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)C=C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-4-16-5-7-17(8-6-16)26-23(31)28-11-9-27(10-12-28)22-18-13-20(29-2)21(30-3)14-19(18)24-15-25-22/h4-8,13-15H,1,9-12H2,2-3H3,(H,26,31)