O-[4-(3-methoxy-4-oxidanyl-phenyl)-1-phenyl-butan-2-yl] N-phenethylcarbamothioate

Systemtic Name: O-[4-(3-methoxy-4-oxidanyl-phenyl)-1-phenyl-butan-2-yl] N-phenethylcarbamothioate Openeye Name: O-[1-benzyl-3-(4-hydroxy-3-methoxy-phenyl)propyl] N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid O-[4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-yl] ester IUPAC Name: O-[4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-yl] N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid O-[1-benzyl-3-(4-hydroxy-3-methoxy-phenyl)propyl] ester Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(CC2=CC=CC=C2)OC(=S)NCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(CC2=CC=CC=C2)OC(=S)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO3S/c1-29-25-19-22(13-15-24(25)28)12-14-23(18-21-10-6-3-7-11-21)30-26(31)27-17-16-20-8-4-2-5-9-20/h2-11,13,15,19,23,28H,12,14,16-18H2,1H3,(H,27,31)