O-[3-[(3,5-dimethoxyphenyl)-oxidanyl-methyl]-4-methoxy-phenyl] N,N-diethylcarbamothioate

Systemtic Name: O-[3-[(3,5-dimethoxyphenyl)-oxidanyl-methyl]-4-methoxy-phenyl] N,N-diethylcarbamothioate Openeye Name: O-[3-[(3,5-dimethoxyphenyl)-hydroxy-methyl]-4-methoxy-phenyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4-methoxyphenyl] ester IUPAC Name: O-[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4-methoxyphenyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-[3-[(3,5-dimethoxyphenyl)-hydroxy-methyl]-4-methoxy-phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=CC(=C(C=C1)OC)C(C2=CC(=CC(=C2)OC)OC)O

Isomeric SMILES

CCN(CC)C(=S)OC1=CC(=C(C=C1)OC)C(C2=CC(=CC(=C2)OC)OC)O

InChI

InChI=1S/C21H27NO5S/c1-6-22(7-2)21(28)27-15-8-9-19(26-5)18(13-15)20(23)14-10-16(24-3)12-17(11-14)25-4/h8-13,20,23H,6-7H2,1-5H3