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

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C21H27F3N2S MolecularWeight: 396.51269

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H27F3N2S/c1-2-18(20-10-13-7-14(11-20)9-15(8-13)12-20)26-19(27)25-17-6-4-3-5-16(17)21(22,23)24/h3-6,13-15,18H,2,7-12H2,1H3,(H2,25,26,27)