Catalog Number:
AG003AII
Chemical Name:
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-(8α,9S)-cinchonan-9-ylthiourea
CAS Number:
890044-38-9
Molecular Formula:
C28H26F6N4S
Molecular Weight:
564.5883
MDL Number:
MFCD28902422
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]thiourea
InChI:
InChI=1S/C28H26F6N4S/c1-2-16-15-38-10-8-17(16)11-24(38)25(22-7-9-35-23-6-4-3-5-21(22)23)37-26(39)36-20-13-18(27(29,30)31)12-19(14-20)28(32,33)34/h2-7,9,12-14,16-17,24-25H,1,8,10-11,15H2,(H2,36,37,39)/t16-,17-,24-,25-/m0/s1
InChI Key:
IIQBCCXHYIEQTC-SEMUBUJISA-N
SMILES:
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](c1ccnc2c1cccc2)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
