[3-(aminocarbonylamino)-2-(2,4-dimethylphenyl)carbonyl-1-benzofuran-6-yl] 1-methylimidazole-4-sulfonate

Systemtic Name: [3-(aminocarbonylamino)-2-(2,4-dimethylphenyl)carbonyl-1-benzofuran-6-yl] 1-methylimidazole-4-sulfonate Openeye Name: [2-(2,4-dimethylbenzoyl)-3-ureido-benzofuran-6-yl] 1-methylimidazole-4-sulfonate CAS Name: 1-methyl-4-imidazolesulfonic acid [3-(carbamoylamino)-2-[(2,4-dimethylphenyl)-oxomethyl]-6-benzofuranyl] ester IUPAC Name: [3-(carbamoylamino)-2-(2,4-dimethylbenzoyl)-1-benzofuran-6-yl] 1-methylimidazole-4-sulfonate Traditional Name: 1-methylimidazole-4-sulfonic acid [2-(2,4-dimethylbenzoyl)-3-ureido-benzofuran-6-yl] ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CN(C=N4)C)NC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CN(C=N4)C)NC(=O)N)C

InChI

InChI=1S/C22H20N4O6S/c1-12-4-6-15(13(2)8-12)20(27)21-19(25-22(23)28)16-7-5-14(9-17(16)31-21)32-33(29,30)18-10-26(3)11-24-18/h4-11H,1-3H3,(H3,23,25,28)