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N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
[CAS# 852913-16-7]

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CAS#: 852913-16-7
Product: N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
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Identification
Name N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
Molecular Structure CAS#: 852913-16-7, N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
Molecular Formula C29H28F6N4OS
Molecular Weight 594.61
CAS Registry Number 852913-16-7
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
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
InChIKey IQMKPBFOEWWDIQ-FRSFCCSCSA-N
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