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

Systemtic Name: 5-methylsulfanyl-2-propyl-3-[[4-[2-(thiophen-2-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-2-propyl-3-[[4-[2-(2-thienylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-[[4-[2-[[oxo-(thiophen-2-ylmethylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-2-propyl-3-[[4-[2-(thiophen-2-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-2-propyl-3-[4-[2-(2-thenylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C27H28N4O5S3 MolecularWeight: 584.73002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CS4)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CS4)C(=O)O)SC

InChI

InChI=1S/C27H28N4O5S3/c1-3-7-23-29-25(37-2)24(26(32)33)31(23)17-18-11-13-19(14-12-18)21-9-4-5-10-22(21)39(35,36)30-27(34)28-16-20-8-6-15-38-20/h4-6,8-15H,3,7,16-17H2,1-2H3,(H,32,33)(H2,28,30,34)