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

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[2-fluoro-3-(trifluoromethyl)benzyl]thiourea Formula: C20H22F4N2S MolecularWeight: 398.460693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F4N2S/c1-3-4-6-14-9-10-17(13(2)11-14)26-19(27)25-12-15-7-5-8-16(18(15)21)20(22,23)24/h5,7-11H,3-4,6,12H2,1-2H3,(H2,25,26,27)