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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CN(C(=S)SC2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2CN(C(=S)SC2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O2S2/c1-16(18-7-5-4-6-8-18)23-14-22(21(26)27-15-23)12-11-17-9-10-19(24-2)20(13-17)25-3/h4-10,13,16H,11-12,14-15H2,1-3H3