3-(3-sulfonatopropylcarbamothioylamino)propane-1-sulfonate

Systemtic Name: 3-(3-sulfonatopropylcarbamothioylamino)propane-1-sulfonate Openeye Name: 3-(3-sulfonatopropylcarbamothioylamino)propane-1-sulfonate CAS Name: 3-[[sulfanylidene-(3-sulfonatopropylamino)methyl]amino]-1-propanesulfonate IUPAC Name: 3-(3-sulfonatopropylcarbamothioylamino)propane-1-sulfonate Traditional Name: 3-(3-sulfonatopropylthiocarbamoylamino)propane-1-sulfonate Formula: C7H14N2O6S3-2 MolecularWeight: 318.39086

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=S)NCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(CNC(=S)NCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C7H16N2O6S3/c10-17(11,12)5-1-3-8-7(16)9-4-2-6-18(13,14)15/h1-6H2,(H2,8,9,16)(H,10,11,12)(H,13,14,15)/p-2