5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(allylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-[[4-[2-[[oxo-(prop-2-enylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(allylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)-2-propyl-imidazole-4-carboxylic acid Formula: C25H28N4O5S2 MolecularWeight: 528.64362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C)C(=O)O)SC

InChI

InChI=1S/C25H28N4O5S2/c1-4-8-21-27-23(35-3)22(24(30)31)29(21)16-17-11-13-18(14-12-17)19-9-6-7-10-20(19)36(33,34)28-25(32)26-15-5-2/h5-7,9-14H,2,4,8,15-16H2,1,3H3,(H,30,31)(H2,26,28,32)