1-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea

Systemtic Name: 1-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea Openeye Name: [2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea CAS Name: [2-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]propyl]urea IUPAC Name: [2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]urea Traditional Name: [2-methyl-2-[[3-(trifluoromethyl)benzyl]thio]propyl]urea Formula: C13H17F3N2OS MolecularWeight: 306.34709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)N)SCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)(CNC(=O)N)SCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C13H17F3N2OS/c1-12(2,8-18-11(17)19)20-7-9-4-3-5-10(6-9)13(14,15)16/h3-6H,7-8H2,1-2H3,(H3,17,18,19)