methyl 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC(=O)OC)OC

InChI

InChI=1S/C18H23N5O4S/c1-25-14-8-12-13(9-15(14)26-2)20-11-21-17(12)22-4-6-23(7-5-22)18(28)19-10-16(24)27-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,28)