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

Properties Image MNX_ID MNXM341050 reference chebi:92129 formula C23H28BrClN6S global charge 0 mol weight 535.943 InChIKey ISTWZTLJICEOOO-UHFFFAOYSA-N InChI InChI=1S/C23H28BrClN6S/c24-19-7-10-22(29-14-19)31(16-18-5-8-20(25)9-6-18)13-2-1-11-27-23(32)28-12-3-4-21-15-26-17-30-21/h5-10,14-15,17H,1-4,11-13,16H2,(H,26,30)(H2,27,28,32) SMILES S=C(NCCCCN(CC1=CC=C(Cl)C=C1)C1=NC=C(Br)C=C1)NCCCC1=CN=CN1 MNX internals InChI (mnx) InChI=1/C23H28BrClN6S/c24-19-7-10-22(29-14-19)31(16-18-5-8-20(25)9-6-18)13-2-1-11-27-23(32)28-12-3-4-21-15-26-17-30-21/h5-10,14-15,17H,1-4,11-13,16H2,(H,26,30)(H2,27,28,32) SMILES (mnx) [CH2:1]([CH2:2][CH2:13][N:31]([CH2:16][C:18]1=[CH:6][CH:9]=[C:20]([Cl:25])[CH:8]=[CH:5]1)[C:22]1=[N:29][CH:14]=[C:19]([Br:24])[CH:7]=[CH:10]1)[CH2:11][N:27]=[C:23]([NH:28][CH2:12][CH2:3][CH2:4][C:21]1=[CH:15][N:26]=[CH:17][NH:30]1)[SH:32]

Parent-child relations graph

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