3-(2-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-ethoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-o-phenetyl-1-(4-pyridylmethyl)thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-2-27-20-7-4-3-6-19(20)24-21(28)26(16-18-8-10-22-11-9-18)14-5-13-25-15-12-23-17-25/h3-4,6-12,15,17H,2,5,13-14,16H2,1H3,(H,24,28)