sodium 3-[ethyl(ethylcarbamothioyl)carbamothioyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[ethyl(ethylcarbamothioyl)carbamothioyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[ethyl(ethylcarbamothioyl)carbamothioyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[ethyl-[ethylamino(sulfanylidene)methyl]amino]-sulfanylidenemethyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[ethyl(ethylcarbamothioyl)carbamothioyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[ethyl(ethylthiocarbamoyl)thiocarbamoyl]thio]propane-1-sulfonate Formula: C9H17N2NaO3S4 MolecularWeight: 352.49265

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC)C(=S)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCNC(=S)N(CC)C(=S)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H18N2O3S4.Na/c1-3-10-8(15)11(4-2)9(16)17-6-5-7-18(12,13)14;/h3-7H2,1-2H3,(H,10,15)(H,12,13,14);/q;+1/p-1