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

Systemtic Name: 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanyl-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]ethanamide Openeye Name: 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanyl-phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide CAS Name: 2-[3-(methylcarbamoylsulfamoyl)-4-(methylthio)phenyl]-N-[1-(3-thiazol-3-iumyl)ethyl]acetamide IUPAC Name: 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]acetamide Traditional Name: 2-[3-(methylcarbamoylsulfamoyl)-4-(methylthio)phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide Formula: C16H21N4O4S3+ MolecularWeight: 429.55734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S3/c1-11(20-6-7-26-10-20)18-15(21)9-12-4-5-13(25-3)14(8-12)27(23,24)19-16(22)17-2/h4-8,10-11H,9H2,1-3H3,(H2-,17,18,19,21,22)/p+1