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

Systemtic Name: 1-(phenylmethyl)-3-[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-benzyl-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-(phenylmethyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-benzyl-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-benzyl-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C19H17F7N2O2S MolecularWeight: 470.404302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C19H17F7N2O2S/c20-16(21)18(22,23)10-29-14-6-13(7-15(8-14)30-11-19(24,25)26)28-17(31)27-9-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H2,27,28,31)