Catalog Number:
AG00390R
Chemical Name:
N-[3,5-Bis(trifluoromethyl)phenyl]-n'-[(8a,9s)-6'-methoxy-9-cinchonanyl]thiourea
CAS Number:
852913-16-7
Molecular Formula:
C29H28F6N4OS
Molecular Weight:
594.6142
MDL Number:
MFCD16875670
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea
InChI:
InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
InChI Key:
IQMKPBFOEWWDIQ-FRSFCCSCSA-N
SMILES:
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
