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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,4-dimethoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-27-18-6-7-19(20(13-18)28-2)24-21(29)26(15-17-5-3-8-22-14-17)11-4-10-25-12-9-23-16-25/h3,5-9,12-14,16H,4,10-11,15H2,1-2H3,(H,24,29)