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

Identification

• Name: N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
• Synonyms: 9-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-(epi-quinine)
• 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