1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfanyl]urea

Systemtic Name: 1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfanyl]urea Openeye Name: 1-methyl-3-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethylsulfanyl]urea CAS Name: 1-methyl-3-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethylthio]urea IUPAC Name: 1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfanyl]urea Traditional Name: 1-methyl-3-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethylthio]urea Formula: C14H14F3N3OS2 MolecularWeight: 361.40567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NSCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CNC(=O)NSCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C14H14F3N3OS2/c1-18-13(21)20-23-7-6-22-11-8-12(14(15,16)17)19-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H2,18,20,21)