1-cyclopentyl-3-(4-methylphenyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea

Systemtic Name: 1-cyclopentyl-3-(4-methylphenyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea Openeye Name: 1-cyclopentyl-3-(p-tolyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea CAS Name: 1-cyclopentyl-3-(4-methylphenyl)-1-[[4-(trifluoromethylthio)phenyl]methyl]urea IUPAC Name: 1-cyclopentyl-3-(4-methylphenyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea Traditional Name: 1-cyclopentyl-3-(p-tolyl)-1-[4-(trifluoromethylthio)benzyl]urea Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)SC(F)(F)F)C3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)SC(F)(F)F)C3CCCC3

InChI

InChI=1S/C21H23F3N2OS/c1-15-6-10-17(11-7-15)25-20(27)26(18-4-2-3-5-18)14-16-8-12-19(13-9-16)28-21(22,23)24/h6-13,18H,2-5,14H2,1H3,(H,25,27)