1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(methylthio)phenyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-homoveratryl-3-[3-(methylthio)phenyl]-1-(2-pyridylmethyl)thiourea Formula: C24H27N3O2S2 MolecularWeight: 453.62008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C24H27N3O2S2/c1-28-22-11-10-18(15-23(22)29-2)12-14-27(17-20-7-4-5-13-25-20)24(30)26-19-8-6-9-21(16-19)31-3/h4-11,13,15-16H,12,14,17H2,1-3H3,(H,26,30)