sodium 2-azanyl-3-phenyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]propanamide chloride

Systemtic Name: sodium 2-azanyl-3-phenyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]propanamide chloride Openeye Name: sodium 2-amino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]propanamide chloride CAS Name: sodium 2-amino-3-phenyl-N-[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]propanamide chloride IUPAC Name: sodium 2-amino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]propanamide chloride Traditional Name: sodium 2-amino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethylthiocarbamoyl]propionamide chloride Formula: C18H22ClN4NaO3S2 MolecularWeight: 464.96505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)N.[Na+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)N.[Na+].[Cl-]

InChI

InChI=1S/C18H22N4O3S2.ClH.Na/c19-16(12-14-4-2-1-3-5-14)17(23)22-18(26)21-11-10-13-6-8-15(9-7-13)27(20,24)25;;/h1-9,16H,10-12,19H2,(H2,20,24,25)(H2,21,22,23,26);1H;/q;;+1/p-1