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

Systemtic Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]ethanamide Openeye Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide CAS Name: 2-[4-ethoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-N-[1-(3-thiazol-3-iumyl)ethyl]acetamide IUPAC Name: 2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]acetamide Traditional Name: 2-[4-ethoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide Formula: C17H23N4O4S3+ MolecularWeight: 443.58392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NC(C)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NC(C)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C17H22N4O4S3/c1-4-25-14-6-5-13(9-15(14)28(23,24)20-17(26)18-3)10-16(22)19-12(2)21-7-8-27-11-21/h5-9,11-12H,4,10H2,1-3H3,(H2-,18,19,20,22,26)/p+1