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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

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