sodium 4-(prop-2-enylcarbamothioylamino)benzenesulfonate

Systemtic Name: sodium 4-(prop-2-enylcarbamothioylamino)benzenesulfonate Openeye Name: sodium 4-(allylcarbamothioylamino)benzenesulfonate CAS Name: sodium 4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzenesulfonate IUPAC Name: sodium 4-(prop-2-enylcarbamothioylamino)benzenesulfonate Traditional Name: sodium 4-(allylthiocarbamoylamino)besylate Formula: C10H11N2NaO3S2 MolecularWeight: 294.32571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S2.Na/c1-2-7-11-10(16)12-8-3-5-9(6-4-8)17(13,14)15;/h2-6H,1,7H2,(H2,11,12,16)(H,13,14,15);/q;+1/p-1