3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-2-20-8-3-4-9-21(20)24-22(28)26(18-19-7-5-10-23-17-19)12-6-11-25-13-15-27-16-14-25/h3-5,7-10,17H,2,6,11-16,18H2,1H3,(H,24,28)