1-(4-butylphenyl)-3-[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C22H23F7N2O2S MolecularWeight: 512.484042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C22H23F7N2O2S/c1-2-3-4-14-5-7-15(8-6-14)30-20(34)31-16-9-17(32-12-21(25,26)19(23)24)11-18(10-16)33-13-22(27,28)29/h5-11,19H,2-4,12-13H2,1H3,(H2,30,31,34)