2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Openeye Name: 1-[[4-[2-(allylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-3-methylsulfanyl-2H-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-(methylthio)-1-[[4-[2-[[oxo-(prop-2-enylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid IUPAC Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Traditional Name: 1-[4-[2-(allylcarbamoylsulfamoyl)phenyl]benzyl]-2-butyl-3-(methylthio)-4-imidazoline-4-carboxylic acid Formula: C26H32N4O5S2 MolecularWeight: 544.68608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C

Isomeric SMILES

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC=C

InChI

InChI=1S/C26H32N4O5S2/c1-4-6-11-24-29(18-22(25(31)32)30(24)36-3)17-19-12-14-20(15-13-19)21-9-7-8-10-23(21)37(34,35)28-26(33)27-16-5-2/h5,7-10,12-15,18,24H,2,4,6,11,16-17H2,1,3H3,(H,31,32)(H2,27,28,33)