sodium 2-(prop-2-enylcarbamothioylamino)ethanesulfonate

Systemtic Name: sodium 2-(prop-2-enylcarbamothioylamino)ethanesulfonate Openeye Name: sodium 2-(allylcarbamothioylamino)ethanesulfonate CAS Name: sodium 2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ethanesulfonate IUPAC Name: sodium 2-(prop-2-enylcarbamothioylamino)ethanesulfonate Traditional Name: sodium 2-(allylthiocarbamoylamino)ethanesulfonate Formula: C6H11N2NaO3S2 MolecularWeight: 246.28291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12N2O3S2.Na/c1-2-3-7-6(12)8-4-5-13(9,10)11;/h2H,1,3-5H2,(H2,7,8,12)(H,9,10,11);/q;+1/p-1