1-(2,6-diethyl-4-propan-2-yl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea

Systemtic Name: 1-(2,6-diethyl-4-propan-2-yl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Openeye Name: 1-(2,6-diethyl-4-isopropyl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea CAS Name: 1-(2,6-diethyl-4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea IUPAC Name: 1-(2,6-diethyl-4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Traditional Name: 1-(2,6-diethyl-4-isopropyl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Formula: C21H31F3N2S MolecularWeight: 400.54445

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=S)NC2CCCC(C2)C(F)(F)F)CC)C(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=S)NC2CCCC(C2)C(F)(F)F)CC)C(C)C

InChI

InChI=1S/C21H31F3N2S/c1-5-14-10-16(13(3)4)11-15(6-2)19(14)26-20(27)25-18-9-7-8-17(12-18)21(22,23)24/h10-11,13,17-18H,5-9,12H2,1-4H3,(H2,25,26,27)