sodium 3-(ethylcarbamothioylamino)benzenesulfonate

Systemtic Name: sodium 3-(ethylcarbamothioylamino)benzenesulfonate Openeye Name: sodium 3-(ethylcarbamothioylamino)benzenesulfonate CAS Name: sodium 3-[[ethylamino(sulfanylidene)methyl]amino]benzenesulfonate IUPAC Name: sodium 3-(ethylcarbamothioylamino)benzenesulfonate Traditional Name: sodium 3-(ethylthiocarbamoylamino)besylate Formula: C9H11N2NaO3S2 MolecularWeight: 282.31501

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12N2O3S2.Na/c1-2-10-9(15)11-7-4-3-5-8(6-7)16(12,13)14;/h3-6H,2H2,1H3,(H2,10,11,15)(H,12,13,14);/q;+1/p-1