N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide

Properties Image MNX_ID MNXM585185 reference chebi:121262 formula C20H19N5O4S2 global charge 0 mol weight 457.537 InChIKey SAMBBLSMANKAFN-UHFFFAOYSA-N InChI InChI=1S/C20H19N5O4S2/c1-12(26)21-14-6-8-15(9-7-14)22-17(27)11-30-20-25-24-19(31-20)23-18(28)13-4-3-5-16(10-13)29-2/h3-10H,11H2,1-2H3,(H,21,26)(H,22,27)(H,23,24,28) SMILES COC1=CC=CC(C(=O)NC2=NN=C(SCC(=O)NC3=CC=C(NC(C)=O)C=C3)S2)=C1 MNX internals InChI (mnx) InChI=1/C20H19N5O4S2/c1-12(26)21-14-6-8-15(9-7-14)22-17(27)11-30-20-25-24-19(31-20)23-18(28)13-4-3-5-16(10-13)29-2/h3-10H,11H2,1-2H3,(H,21,26)(H,22,27)(H,23,24,28) SMILES (mnx) [CH3:1][C:12](=[N:21][C:14]1=[CH:7][CH:9]=[C:15]([NH:22][C:17]([CH2:11][S:30][C:20]2=[N:25][N:24]=[C:19]([N:23]=[C:18]([C:13]3=[CH:10][C:16]([O:29][CH3:2])=[CH:5][CH:3]=[CH:4]3)[OH:28])[S:31]2)=[O:27])[CH:8]=[CH:6]1)[OH:26]

Parent-child relations graph

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