1-(4-butyl-2-methyl-phenyl)-3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[3-fluoro-5-(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=CC(=CC(=C2)F)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22F4N2S/c1-3-4-5-14-6-7-18(13(2)8-14)26-19(27)25-12-15-9-16(20(22,23)24)11-17(21)10-15/h6-11H,3-5,12H2,1-2H3,(H2,25,26,27)