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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyridyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylthiourea Traditional Name: 1-homoveratryl-3-(3-pyridyl)thiourea Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CN=CC=C2)OC

InChI

InChI=1S/C16H19N3O2S/c1-20-14-6-5-12(10-15(14)21-2)7-9-18-16(22)19-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,18,19,22)