1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(2,2-diethoxyethyl)-1-phenethyl-3-[3-(trifluoromethylthio)phenyl]urea Formula: C22H27F3N2O3S MolecularWeight: 456.52159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F)OCC

InChI

InChI=1S/C22H27F3N2O3S/c1-3-29-20(30-4-2)16-27(14-13-17-9-6-5-7-10-17)21(28)26-18-11-8-12-19(15-18)31-22(23,24)25/h5-12,15,20H,3-4,13-14,16H2,1-2H3,(H,26,28)