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

Systemtic Name: 1-(1-adamantyl)-3-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[2-fluoro-5-(trifluoromethyl)benzyl]thiourea Formula: C19H22F4N2S MolecularWeight: 386.449993

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=CC(=C4)C(F)(F)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C19H22F4N2S/c20-16-2-1-15(19(21,22)23)6-14(16)10-24-17(26)25-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H2,24,25,26)