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

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[[3-(trifluoromethyloxy)phenyl]methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[3-(trifluoromethoxy)benzyl]thiourea Formula: C20H23F3N2OS MolecularWeight: 396.46963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N2OS/c1-3-4-6-15-9-10-18(14(2)11-15)25-19(27)24-13-16-7-5-8-17(12-16)26-20(21,22)23/h5,7-12H,3-4,6,13H2,1-2H3,(H2,24,25,27)