1-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3,3,5-trimethylcyclohexyl)thiourea Formula: C16H22ClFN2S MolecularWeight: 328.875683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H22ClFN2S/c1-10-6-12(9-16(2,3)8-10)20-15(21)19-11-4-5-14(18)13(17)7-11/h4-5,7,10,12H,6,8-9H2,1-3H3,(H2,19,20,21)