O-[1-(3-methoxy-4-oxidanyl-phenyl)-5-[4-(trifluoromethyl)phenyl]pentan-3-yl] N-phenethylcarbamothioate

Systemtic Name: O-[1-(3-methoxy-4-oxidanyl-phenyl)-5-[4-(trifluoromethyl)phenyl]pentan-3-yl] N-phenethylcarbamothioate Openeye Name: O-[1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propyl] N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid O-[1-(4-hydroxy-3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pentan-3-yl] ester IUPAC Name: O-[1-(4-hydroxy-3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pentan-3-yl] N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid O-[1-homovanillyl-3-[4-(trifluoromethyl)phenyl]propyl] ester Formula: C28H30F3NO3S MolecularWeight: 517.60291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(CCC2=CC=C(C=C2)C(F)(F)F)OC(=S)NCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(CCC2=CC=C(C=C2)C(F)(F)F)OC(=S)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C28H30F3NO3S/c1-34-26-19-22(11-16-25(26)33)10-15-24(14-9-21-7-12-23(13-8-21)28(29,30)31)35-27(36)32-18-17-20-5-3-2-4-6-20/h2-8,11-13,16,19,24,33H,9-10,14-15,17-18H2,1H3,(H,32,36)