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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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