N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea

CAS Registry Number®

620960-27-2
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CAS Name

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea

Molecular Formula

C23H23F6N3S

Molecular Mass

487.50

Cite this Page

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=620960-27-2 (retrieved 2024-09-09) (CAS RN: 620960-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H23F6N3S/c24-22(25,26)16-9-17(23(27,28)29)11-18(10-16)30-21(33)31-19-7-3-4-8-20(19)32-12-14-5-1-2-6-15(14)13-32/h1-2,5-6,9-11,19-20H,3-4,7-8,12-13H2,(H2,30,31,33)/t19-,20-/m1/s1

InChIKey

InChIKey=KIDBBKIWFZMJNT-WOJBJXKFSA-N

SMILES

N(C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=S)[C@H]2[C@H](N3CC=4C(C3)=CC=CC4)CCCC2

Canonical SMILES

FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NC(=S)NC2CCCCC2N3CC=4C=CC=CC4C3

Other Names for this Substance

  • Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N′-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]-
  • N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]thiourea