3-(3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H28N4O3S/c1-26-19-12-18(13-20(14-19)27-2)23-21(29)25(16-17-4-3-5-22-15-17)7-6-24-8-10-28-11-9-24/h3-5,12-15H,6-11,16H2,1-2H3,(H,23,29)