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

Systemtic Name: 1-(2-adamantyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-adamantyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-adamantyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2-adamantyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-adamantyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C18H21F3N2S MolecularWeight: 354.43295

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H21F3N2S/c19-18(20,21)14-2-1-3-15(9-14)22-17(24)23-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16H,4-8H2,(H2,22,23,24)