disodium 3-(2-sulfonatoethylcarbamothioylamino)propanoate

Systemtic Name: disodium 3-(2-sulfonatoethylcarbamothioylamino)propanoate Openeye Name: disodium 3-(2-sulfonatoethylcarbamothioylamino)propanoate CAS Name: disodium 3-[[sulfanylidene-(2-sulfonatoethylamino)methyl]amino]propanoate IUPAC Name: disodium 3-(2-sulfonatoethylcarbamothioylamino)propanoate Traditional Name: disodium 3-(2-sulfonatoethylthiocarbamoylamino)propionate Formula: C6H10N2Na2O5S2 MolecularWeight: 300.26354

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=S)NCCS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C(CNC(=S)NCCS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C6H12N2O5S2.2Na/c9-5(10)1-2-7-6(14)8-3-4-15(11,12)13;;/h1-4H2,(H,9,10)(H2,7,8,14)(H,11,12,13);;/q;2*+1/p-2