3-(3-methylsulfanylphenyl)-1-(2-oxidanylbutyl)-1-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 3-(3-methylsulfanylphenyl)-1-(2-oxidanylbutyl)-1-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-hydroxybutyl)-3-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(2-hydroxybutyl)-3-[3-(methylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-hydroxybutyl)-3-(3-methylsulfanylphenyl)-1-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-hydroxybutyl)-3-[3-(methylthio)phenyl]-1-[3-(trifluoromethyl)phenyl]urea Formula: C19H21F3N2O2S MolecularWeight: 398.44245

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)SC)O

Isomeric SMILES

CCC(CN(C1=CC=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)SC)O

InChI

InChI=1S/C19H21F3N2O2S/c1-3-16(25)12-24(15-8-4-6-13(10-15)19(20,21)22)18(26)23-14-7-5-9-17(11-14)27-2/h4-11,16,25H,3,12H2,1-2H3,(H,23,26)