1-[(6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]-3-(4-methylphenyl)thiourea

Properties Image MNX_ID MNXM340676 reference chebi:121763 formula C19H21N3O2S global charge 0 mol weight 355.463 InChIKey RBSSRAAZZZALGM-UHFFFAOYSA-N InChI InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)20-18(25)22-21-16-11-19(2,3)24-17-9-8-14(23)10-15(16)17/h4-10,23H,11H2,1-3H3,(H2,20,22,25) SMILES CC1=CC=C(NC(=S)NN=C2CC(C)(C)OC3=C2C=C(O)C=C3)C=C1 MNX internals InChI (mnx) InChI=1/C19H21N3O2S/c1-12-4-6-13(7-5-12)20-18(25)22-21-16-11-19(2,3)24-17-9-8-14(23)10-15(16)17/h4-10,23H,11H2,1-3H3,(H2,20,22,25)/b21-16? SMILES (mnx) [CH3:1][C:12]1=[CH:5][CH:7]=[C:13]([NH:20][C:18](=[N:22][N:21]=[C:16]2[CH2:11][C:19]([CH3:2])([CH3:3])[O:24][C:17]3=[C:15]2[CH:10]=[C:14]([OH:23])[CH:8]=[CH:9]3)[SH:25])[CH:6]=[CH:4]1

Parent-child relations graph

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