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

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ChEBI Name 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 ID CHEBI:114729
Stars This entity has been manually annotated by a third party.
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Formula C23H26N6O3S3
Net Charge 0
Average Mass 530.690
Monoisotopic Mass 530.12285
InChI InChI=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)
InChIKey NQERPKGESVOKTF-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4
ChEBI Ontology
Outgoing 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)
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