3-(4-butylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-butylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-butylphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-butylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-butylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C23H32N4OS MolecularWeight: 412.59138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C23H32N4OS/c1-2-3-5-20-7-9-22(10-8-20)25-23(29)27(19-21-6-4-11-24-18-21)13-12-26-14-16-28-17-15-26/h4,6-11,18H,2-3,5,12-17,19H2,1H3,(H,25,29)