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

Systemtic Name: 2-[4-methyl-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]ethanamide Openeye Name: 2-[4-methyl-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide CAS Name: 2-[4-methyl-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-N-[1-(3-thiazol-3-iumyl)ethyl]acetamide IUPAC Name: 2-[4-methyl-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]acetamide Traditional Name: 2-[4-methyl-3-(methylthiocarbamoylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide Formula: C16H21N4O3S3+ MolecularWeight: 413.55794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S3/c1-11-4-5-13(8-14(11)26(22,23)19-16(24)17-3)9-15(21)18-12(2)20-6-7-25-10-20/h4-8,10,12H,9H2,1-3H3,(H2-,17,18,19,21,24)/p+1