1-phenethyl-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-phenethyl-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-phenethyl-1-[2-(2-pyridyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-phenethyl-1-[2-(2-pyridinyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-phenethyl-1-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-phenethyl-1-[2-(2-pyridyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C23H22F3N3S MolecularWeight: 429.50109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC=CC=N2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC2=CC=CC=N2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3N3S/c24-23(25,26)19-9-6-11-21(17-19)28-22(30)29(15-12-18-7-2-1-3-8-18)16-13-20-10-4-5-14-27-20/h1-11,14,17H,12-13,15-16H2,(H,28,30)