3-(3,5-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-27-19-12-18(13-20(14-19)28-2)24-21(29)26(15-17-4-6-22-7-5-17)10-3-9-25-11-8-23-16-25/h4-8,11-14,16H,3,9-10,15H2,1-2H3,(H,24,29)