ethyl 4-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

InChI

InChI=1S/C20H20N4O5S2/c1-4-29-18(26)11-5-7-12(8-6-11)21-19(30)23-24-17(25)13-9-15(27-2)16(28-3)10-14(13)22-20(24)31/h5-10H,4H2,1-3H3,(H,22,31)(H2,21,23,30)