methyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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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(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-30-19-12-17-18(13-20(19)31-2)24-14-25-21(17)27-8-10-28(11-9-27)23(33)26-16-6-4-15(5-7-16)22(29)32-3/h4-7,12-14H,8-11H2,1-3H3,(H,26,33)