3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-(3-pyridylmethyl)-1-veratryl-thiourea Formula: C22H22ClN3O2S MolecularWeight: 427.94698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C22H22ClN3O2S/c1-27-20-9-8-16(11-21(20)28-2)14-26(15-17-5-4-10-24-13-17)22(29)25-19-7-3-6-18(23)12-19/h3-13H,14-15H2,1-2H3,(H,25,29)