2-[3-(methylcarbamothioylsulfamoyl)-4-methylsulfanyl-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]ethanamide

Systemtic Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-methylsulfanyl-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]ethanamide Openeye Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-methylsulfanyl-phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide CAS Name: 2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-(methylthio)phenyl]-N-[1-(3-thiazol-3-iumyl)propyl]acetamide IUPAC Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-methylsulfanylphenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]acetamide Traditional Name: 2-[4-(methylthio)-3-(methylthiocarbamoylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide Formula: C17H23N4O3S4+ MolecularWeight: 459.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CC1=CC(=C(C=C1)SC)S(=O)(=O)NC(=S)NC)[N+]2=CSC=C2

Isomeric SMILES

CCC(NC(=O)CC1=CC(=C(C=C1)SC)S(=O)(=O)NC(=S)NC)[N+]2=CSC=C2

InChI

InChI=1S/C17H22N4O3S4/c1-4-15(21-7-8-27-11-21)19-16(22)10-12-5-6-13(26-3)14(9-12)28(23,24)20-17(25)18-2/h5-9,11,15H,4,10H2,1-3H3,(H2-,18,19,20,22,25)/p+1