O-[3-(3-methoxy-4-oxidanyl-phenyl)-1-phenyl-propyl] N-phenethylcarbamothioate

Systemtic Name: O-[3-(3-methoxy-4-oxidanyl-phenyl)-1-phenyl-propyl] N-phenethylcarbamothioate Openeye Name: O-[3-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-propyl] N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid O-[3-(4-hydroxy-3-methoxyphenyl)-1-phenylpropyl] ester IUPAC Name: O-[3-(4-hydroxy-3-methoxyphenyl)-1-phenylpropyl] N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid O-[3-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-propyl] ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S/c1-28-24-18-20(12-14-22(24)27)13-15-23(21-10-6-3-7-11-21)29-25(30)26-17-16-19-8-4-2-5-9-19/h2-12,14,18,23,27H,13,15-17H2,1H3,(H,26,30)