EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114729 - 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide

ChEBI IDCHEBI:114729
ChEBI Name2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
Stars
DownloadsMolfile
FormulaC23H26N6O3S3
Net Charge0
Average Mass530.701
Monoisotopic Mass530.12285
SMILESCc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)s2)cc1
InChIInChI=1S/C23H26N6O3S3/c1-16-9-11-17(12-10-16)26-22-27-28-23(34-22)33-15-21(30)25-18-6-5-7-19(14-18)35(31,32)29-20-8-3-2-4-13-24-20/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)(H,25,30)(H,26,27)
InChIKeyNQERPKGESVOKTF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide (CHEBI:114729) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-26191LINCS