1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone

Properties Image MNX_ID MNXM343336 reference chebi:116306 formula C20H22F2N2OS global charge 0 mol weight 376.472 InChIKey IBDAZHHSRBJXSW-UHFFFAOYSA-N InChI InChI=1S/C20H22F2N2OS/c21-20(22)26-16-11-9-15(10-12-16)23-18-8-4-3-7-17(18)19(25)24-13-5-1-2-6-14-24/h3-4,7-12,20,23H,1-2,5-6,13-14H2 SMILES O=C(C1=CC=CC=C1NC1=CC=C(SC(F)F)C=C1)N1CCCCCC1 MNX internals InChI (mnx) InChI=1/C20H22F2N2OS/c21-20(22)26-16-11-9-15(10-12-16)23-18-8-4-3-7-17(18)19(25)24-13-5-1-2-6-14-24/h3-4,7-12,20,23H,1-2,5-6,13-14H2 SMILES (mnx) [CH2:1]1[CH2:2][CH2:6][CH2:14][N:24]([C:19]([C:17]2=[CH:7][CH:3]=[CH:4][CH:8]=[C:18]2[NH:23][C:15]2=[CH:10][CH:12]=[C:16]([S:26][CH:20]([F:21])[F:22])[CH:11]=[CH:9]2)=[O:25])[CH2:13][CH2:5]1

Parent-child relations graph

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