1-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

Properties Image MNX_ID MNXM340955 reference chebi:93444 formula C22H26BrClN6S global charge 0 mol weight 521.916 InChIKey AVTBQIDXNQGEAD-UHFFFAOYSA-N InChI InChI=1S/C22H26BrClN6S/c23-18-6-9-21(28-13-18)30(15-17-4-7-19(24)8-5-17)12-2-11-27-22(31)26-10-1-3-20-14-25-16-29-20/h4-9,13-14,16H,1-3,10-12,15H2,(H,25,29)(H2,26,27,31) SMILES S=C(NCCCC1=CN=CN1)NCCCN(CC1=CC=C(Cl)C=C1)C1=NC=C(Br)C=C1 MNX internals InChI (mnx) InChI=1/C22H26BrClN6S/c23-18-6-9-21(28-13-18)30(15-17-4-7-19(24)8-5-17)12-2-11-27-22(31)26-10-1-3-20-14-25-16-29-20/h4-9,13-14,16H,1-3,10-12,15H2,(H,25,29)(H2,26,27,31) SMILES (mnx) [CH2:1]([CH2:3][C:20]1=[CH:14][N:25]=[CH:16][NH:29]1)[CH2:10][N:26]=[C:22]([NH:27][CH2:11][CH2:2][CH2:12][N:30]([CH2:15][C:17]1=[CH:5][CH:8]=[C:19]([Cl:24])[CH:7]=[CH:4]1)[C:21]1=[N:28][CH:13]=[C:18]([Br:23])[CH:6]=[CH:9]1)[SH:31]

Parent-child relations graph

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