1-(2-tert-butyl-6-methyl-phenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

Systemtic Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Openeye Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea CAS Name: 1-(2-tert-butyl-6-methylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea IUPAC Name: 1-(2-tert-butyl-6-methylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Traditional Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Formula: C21H25F3N2O MolecularWeight: 378.43121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NCCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NCCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O/c1-14-7-5-10-17(20(2,3)4)18(14)26-19(27)25-12-11-15-8-6-9-16(13-15)21(22,23)24/h5-10,13H,11-12H2,1-4H3,(H2,25,26,27)