1-[(3,4-dimethoxyphenyl)methyl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-veratryl-thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCCCN2C=CN=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCCCN2C=CN=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-21-14-5-4-13(10-15(14)22-2)11-19-16(23)18-6-3-8-20-9-7-17-12-20/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H2,18,19,23)