2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-thiophen-2-ylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-thiophen-2-ylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-(2-thienylsulfanyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(thiophen-2-ylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-thiophen-2-ylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]-5-(2-thienylthio)imidazole-4-carboxylic acid Formula: C29H32N4O5S3 MolecularWeight: 612.78318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCCC)C(=O)O)SC4=CC=CS4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCCC)C(=O)O)SC4=CC=CS4

InChI

InChI=1S/C29H32N4O5S3/c1-3-5-11-24-31-27(40-25-12-8-18-39-25)26(28(34)35)33(24)19-20-13-15-21(16-14-20)22-9-6-7-10-23(22)41(37,38)32-29(36)30-17-4-2/h6-10,12-16,18H,3-5,11,17,19H2,1-2H3,(H,34,35)(H2,30,32,36)