1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea

Properties Image MNX_ID MNXM342038 reference chebi:105945 formula C22H29N3OS global charge 0 mol weight 383.561 InChIKey FXHGJVWNQLIDGU-UHFFFAOYSA-N InChI InChI=1S/C22H29N3OS/c1-15-11-16(2)21(17(3)12-15)24-22(27)23-13-18-9-10-25(14-18)19-5-7-20(26-4)8-6-19/h5-8,11-12,18H,9-10,13-14H2,1-4H3,(H2,23,24,27) SMILES COC1=CC=C(N2CCC(CNC(=S)NC3=C(C)C=C(C)C=C3C)C2)C=C1 MNX internals InChI (mnx) InChI=1/C22H29N3OS/c1-15-11-16(2)21(17(3)12-15)24-22(27)23-13-18-9-10-25(14-18)19-5-7-20(26-4)8-6-19/h5-8,11-12,18H,9-10,13-14H2,1-4H3,(H2,23,24,27)/t18? SMILES (mnx) [CH3:1][C:15]1=[CH:11][C:16]([CH3:2])=[C:21]([NH:24][C:22](=[N:23][CH2:13][CH:18]2[CH2:9][CH2:10][N:25]([C:19]3=[CH:6][CH:8]=[C:20]([O:26][CH3:4])[CH:7]=[CH:5]3)[CH2:14]2)[SH:27])[C:17]([CH3:3])=[CH:12]1

Parent-child relations graph

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