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

Systemtic Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]ethanamide Openeye Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide CAS Name: 2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-propoxyphenyl]-N-[1-(3-thiazol-3-iumyl)propyl]acetamide IUPAC Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)propyl]acetamide Traditional Name: 2-[3-(methylthiocarbamoylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiazol-3-ium-3-ylpropyl)acetamide Formula: C19H27N4O4S3+ MolecularWeight: 471.63708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=O)NC(CC)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=O)NC(CC)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C19H26N4O4S3/c1-4-9-27-15-7-6-14(11-16(15)30(25,26)22-19(28)20-3)12-18(24)21-17(5-2)23-8-10-29-13-23/h6-8,10-11,13,17H,4-5,9,12H2,1-3H3,(H2-,20,21,22,24,28)/p+1