sodium 2-azanyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]butanediamide chloride

Systemtic Name: sodium 2-azanyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]butanediamide chloride Openeye Name: sodium 2-amino-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]butanediamide chloride CAS Name: sodium 2-amino-N-[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]butanediamide chloride IUPAC Name: sodium 2-amino-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]butanediamide chloride Traditional Name: sodium 2-amino-N-[2-(4-sulfamoylphenyl)ethylthiocarbamoyl]succinamide chloride Formula: C13H19ClN5NaO4S2 MolecularWeight: 431.89383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NC(=O)C(CC(=O)N)N)S(=O)(=O)N.[Na+].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)NC(=O)C(CC(=O)N)N)S(=O)(=O)N.[Na+].[Cl-]

InChI

InChI=1S/C13H19N5O4S2.ClH.Na/c14-10(7-11(15)19)12(20)18-13(23)17-6-5-8-1-3-9(4-2-8)24(16,21)22;;/h1-4,10H,5-7,14H2,(H2,15,19)(H2,16,21,22)(H2,17,18,20,23);1H;/q;;+1/p-1