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

Systemtic Name: 1-(3-nitrophenyl)-3-[3-[2,2,3,3-tetrakis(fluoranyl)propoxy]-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea CAS Name: 1-(3-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Traditional Name: 1-(3-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea Formula: C18H14F7N3O4S MolecularWeight: 501.375282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F

InChI

InChI=1S/C18H14F7N3O4S/c19-15(20)17(21,22)8-31-13-5-11(6-14(7-13)32-9-18(23,24)25)27-16(33)26-10-2-1-3-12(4-10)28(29)30/h1-7,15H,8-9H2,(H2,26,27,33)