1-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl 4-(dimethylsulfamoyl)benzoate

Systemtic Name: 1-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl 4-(dimethylsulfamoyl)benzoate Openeye Name: [2-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-1-methyl-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid 1-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl ester IUPAC Name: 1-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propan-2-yl 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [2-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-1-methyl-ethyl] ester Formula: C20H20BrN3O5S2 MolecularWeight: 526.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)NC1=S)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(CN1C(=O)C2=C(C=CC(=C2)Br)NC1=S)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H20BrN3O5S2/c1-12(11-24-18(25)16-10-14(21)6-9-17(16)22-20(24)30)29-19(26)13-4-7-15(8-5-13)31(27,28)23(2)3/h4-10,12H,11H2,1-3H3,(H,22,30)