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

Systemtic Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]ethanamide Openeye Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide CAS Name: 2-[4-ethoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-N-[1-(3-thiazol-3-iumyl)propyl]acetamide IUPAC Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]acetamide Traditional Name: 2-[4-ethoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide Formula: C18H25N4O4S3+ MolecularWeight: 457.6105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S3/c1-4-16(22-8-9-28-12-22)20-17(23)11-13-6-7-14(26-5-2)15(10-13)29(24,25)21-18(27)19-3/h6-10,12,16H,4-5,11H2,1-3H3,(H2-,19,20,21,23,27)/p+1