1-(4-butylphenyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-fluoro-3-(trifluoromethyl)benzyl]thiourea Formula: C19H20F4N2S MolecularWeight: 384.434113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(C(=CC=C2)C(F)(F)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=C(C(=CC=C2)C(F)(F)F)F

InChI

InChI=1S/C19H20F4N2S/c1-2-3-5-13-8-10-15(11-9-13)25-18(26)24-12-14-6-4-7-16(17(14)20)19(21,22)23/h4,6-11H,2-3,5,12H2,1H3,(H2,24,25,26)