1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide

Properties Image MNX_ID MNXM344519 reference chebi:121776 formula C20H20N4O4S2 global charge 0 mol weight 444.538 InChIKey AFDYPIPHTVUMJL-UHFFFAOYSA-N InChI InChI=1S/C20H20N4O4S2/c1-2-3-10-23-17-9-8-13(30(21,27)28)11-16(17)22-20(23)29-12-24-18(25)14-6-4-5-7-15(14)19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H2,21,27,28) SMILES CCCCN1C(SCN2C(=O)C3=CC=CC=C3C2=O)=NC2=C1C=CC(S(N)(=O)=O)=C2 MNX internals InChI (mnx) InChI=1/C20H20N4O4S2/c1-2-3-10-23-17-9-8-13(30(21,27)28)11-16(17)22-20(23)29-12-24-18(25)14-6-4-5-7-15(14)19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H2,21,27,28) SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:10][N:23]1[C:17]2=[C:16]([CH:11]=[C:13]([S:30]([NH2:21])(=[O:27])=[O:28])[CH:8]=[CH:9]2)[N:22]=[C:20]1[S:29][CH2:12][N:24]1[C:18](=[O:25])[C:14]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:15]2[C:19]1=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0