5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1,3,5-thiadiazinane-2-thione

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1,3,5-thiadiazinane-2-thione Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1,3,5-thiadiazinane-2-thione CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1,3,5-thiadiazinane-2-thione IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenethyl-1,3,5-thiadiazinane-2-thione Traditional Name: 5-homoveratryl-3-phenethyl-1,3,5-thiadiazinane-2-thione Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CN(C(=S)SC2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CN(C(=S)SC2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O2S2/c1-24-19-9-8-18(14-20(19)25-2)10-12-22-15-23(21(26)27-16-22)13-11-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3