dimethyl 5-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N4O7S2 MolecularWeight: 504.5361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C21H20N4O7S2/c1-29-15-8-13-14(9-16(15)30-2)23-21(34)25(17(13)26)24-20(33)22-12-6-10(18(27)31-3)5-11(7-12)19(28)32-4/h5-9H,1-4H3,(H,23,34)(H2,22,24,33)