3-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3-methoxyphenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3-methoxyphenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O2S/c1-26-20-5-2-4-19(16-20)23-21(28)25(17-18-6-8-22-9-7-18)11-3-10-24-12-14-27-15-13-24/h2,4-9,16H,3,10-15,17H2,1H3,(H,23,28)