1-[4-(2-fluorophenyl)-1-piperazinyl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-butanone

Properties Image MNX_ID MNXM340993 reference chebi:111312 formula C21H31FN4OS global charge 0 mol weight 406.571 InChIKey FHPMCQOMXCVOKG-UHFFFAOYSA-N InChI InChI=1S/C21H31FN4OS/c1-16-15-21(2,3)23-20(28)26(16)10-6-9-19(27)25-13-11-24(12-14-25)18-8-5-4-7-17(18)22/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,23,28) SMILES CC1CC(C)(C)NC(=S)N1CCCC(=O)N1CCN(C2=CC=CC=C2F)CC1 MNX internals InChI (mnx) InChI=1/C21H31FN4OS/c1-16-15-21(2,3)23-20(28)26(16)10-6-9-19(27)25-13-11-24(12-14-25)18-8-5-4-7-17(18)22/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,23,28)/t16? SMILES (mnx) [CH3:1][CH:16]1[CH2:15][C:21]([CH3:2])([CH3:3])[N:23]=[C:20]([SH:28])[N:26]1[CH2:10][CH2:6][CH2:9][C:19]([N:25]1[CH2:13][CH2:11][N:24]([C:18]2=[CH:8][CH:5]=[CH:4][CH:7]=[C:17]2[F:22])[CH2:12][CH2:14]1)=[O:27]

Parent-child relations graph

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