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

Properties Image MNX_ID MNXM340953 reference chebi:92581 formula C22H27BrN6S global charge 0 mol weight 487.471 InChIKey JSFKWPGDWYVELH-UHFFFAOYSA-N InChI InChI=1S/C22H27BrN6S/c23-19-9-10-21(27-14-19)29(16-18-6-2-1-3-7-18)13-5-12-26-22(30)25-11-4-8-20-15-24-17-28-20/h1-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,(H,24,28)(H2,25,26,30) SMILES S=C(NCCCC1=CN=CN1)NCCCN(CC1=CC=CC=C1)C1=NC=C(Br)C=C1 MNX internals InChI (mnx) InChI=1/C22H27BrN6S/c23-19-9-10-21(27-14-19)29(16-18-6-2-1-3-7-18)13-5-12-26-22(30)25-11-4-8-20-15-24-17-28-20/h1-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,(H,24,28)(H2,25,26,30) SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:18]([CH2:16][N:29]([CH2:13][CH2:5][CH2:12][NH:26][C:22](=[N:25][CH2:11][CH2:4][CH2:8][C:20]2=[CH:15][N:24]=[CH:17][NH:28]2)[SH:30])[C:21]2=[N:27][CH:14]=[C:19]([Br:23])[CH:9]=[CH:10]2)[CH:7]=[CH:3]1

Parent-child relations graph

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