1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(2-phenylethyl)thiourea

Properties Image MNX_ID MNXM339829 reference chebi:112902 formula C16H16BrN3OS global charge 0 mol weight 378.295 InChIKey WTOQYFLBTWTRQX-UHFFFAOYSA-N InChI InChI=1S/C16H16BrN3OS/c17-14-6-7-15(21)13(10-14)11-19-20-16(22)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H2,18,20,22) SMILES O=C1C=CC(Br)=CC1=CNNC(=S)NCCC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C16H16BrN3OS/c17-14-6-7-15(21)13(10-14)11-19-20-16(22)18-9-8-12-4-2-1-3-5-12/h1-7,10-11,19H,8-9H2,(H2,18,20,22)/b13-11? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:12]([CH2:8][CH2:9][N:18]=[C:16]([NH:20][NH:19][CH:11]=[C:13]2[CH:10]=[C:14]([Br:17])[CH:6]=[CH:7][C:15]2=[O:21])[SH:22])[CH:5]=[CH:3]1

Parent-child relations graph

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