Chem
J-GLOBAL ID：200907026561948568   Nikkaji number：J2.178.290D

9-[3,5-Bis(trifluoromethyl)phenylthiourea]epiquinine

9-[3,5-ビス(トリフルオロメチル)フェニルチオウレア]エピキニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C29H28F6N4OS
Molecular formula furigana： C29-H28-F6-N4-O-S
Molecular weight： 594.620
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： COc1ccc2nccc([C@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (9)：
  • (8α,9S)-6′-メトキシ-9-[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]シンコナン
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(8α,9S)-6′-メトキシシンコナン-9-イル]チオ尿素
  • (8α,9S)-9-[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]-6′-メトキシシンコナン
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(8S,9S)-6′-メトキシシンコナン-9-イル]チオ尿素
  • (8S,9S)-6′-メトキシ-9-[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]シンコナン
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Other name (11)：
  • (8α,9S)-6′-Methoxy-9-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]cinchonan
  • 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(8α,9S)-6′-methoxycinchonan-9-yl]thiourea
  • (8α,9S)-9-[3-[3,5-Bis(trifluoromethyl)phenyl]thioureido]-6′-methoxycinchonan
  • 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(8S,9S)-6′-methoxycinchonan-9-yl]thiourea
  • (8S,9S)-6′-Methoxy-9-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]cinchonan
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