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

Systemtic Name: 1-(4-bromophenyl)-3-[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-(4-bromophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C18H14BrF7N2O2S MolecularWeight: 535.273782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F)Br

InChI

InChI=1S/C18H14BrF7N2O2S/c19-10-1-3-11(4-2-10)27-16(31)28-12-5-13(29-8-17(22,23)15(20)21)7-14(6-12)30-9-18(24,25)26/h1-7,15H,8-9H2,(H2,27,28,31)