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

Systemtic Name: 1-(4-butan-2-yl-2,6-diethyl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Openeye Name: 1-(2,6-diethyl-4-sec-butyl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea CAS Name: 1-(4-butan-2-yl-2,6-diethylphenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea IUPAC Name: 1-(4-butan-2-yl-2,6-diethylphenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Traditional Name: 1-(2,6-diethyl-4-sec-butyl-phenyl)-3-[3-(trifluoromethyl)cyclohexyl]thiourea Formula: C22H33F3N2S MolecularWeight: 414.57103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33F3N2S/c1-5-14(4)17-11-15(6-2)20(16(7-3)12-17)27-21(28)26-19-10-8-9-18(13-19)22(23,24)25/h11-12,14,18-19H,5-10,13H2,1-4H3,(H2,26,27,28)