2-aminocarbonyl-3-[2-[8-oxidanylidene-8-(2-sulfanylideneimidazolidin-1-yl)octyl]-1H-imidazol-5-yl]benzenesulfonic acid

Systemtic Name: 2-aminocarbonyl-3-[2-[8-oxidanylidene-8-(2-sulfanylideneimidazolidin-1-yl)octyl]-1H-imidazol-5-yl]benzenesulfonic acid Openeye Name: 2-carbamoyl-3-[2-[8-oxo-8-(2-thioxoimidazolidin-1-yl)octyl]-1H-imidazol-5-yl]benzenesulfonic acid CAS Name: 2-carbamoyl-3-[2-[8-oxo-8-(2-sulfanylidene-1-imidazolidinyl)octyl]-1H-imidazol-5-yl]benzenesulfonic acid IUPAC Name: 2-carbamoyl-3-[2-[8-oxo-8-(2-sulfanylideneimidazolidin-1-yl)octyl]-1H-imidazol-5-yl]benzenesulfonic acid Traditional Name: 2-carbamoyl-3-[2-[8-keto-8-(2-thioxoimidazolidin-1-yl)octyl]-1H-imidazol-5-yl]besylic acid Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)C(=O)CCCCCCCC2=NC=C(N2)C3=C(C(=CC=C3)S(=O)(=O)O)C(=O)N

Isomeric SMILES

C1CN(C(=S)N1)C(=O)CCCCCCCC2=NC=C(N2)C3=C(C(=CC=C3)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C21H27N5O5S2/c22-20(28)19-14(7-6-8-16(19)33(29,30)31)15-13-24-17(25-15)9-4-2-1-3-5-10-18(27)26-12-11-23-21(26)32/h6-8,13H,1-5,9-12H2,(H2,22,28)(H,23,32)(H,24,25)(H,29,30,31)