Ibipinabant (USAN/INN)

Properties Image MNX_ID MNXM57026 reference keggD:D09349 formula C23H20Cl2N4O2S global charge 0 mol weight 487.412 InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1 SMILES CN/C(=N\S(=O)(=O)C1=CC=C(Cl)C=C1)N1C[C@H](C2=CC=CC=C2)C(C2=CC=C(Cl)C=C2)=N1 MNX internals InChI (mnx) InChI=1/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1 SMILES (mnx) [CH3:1][N:26]=[C:23]([NH:28][S:32]([C:20]1=[CH:14][CH:12]=[C:19]([Cl:25])[CH:11]=[CH:13]1)(=[O:30])=[O:31])[N:29]1[CH2:15][C@H:21]([C:16]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[C:22]([C:17]2=[CH:8][CH:10]=[C:18]([Cl:24])[CH:9]=[CH:7]2)=[N:27]1

Parent-child relations graph

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