3-(2-methoxy-5-methyl-phenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-methoxy-5-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-17-5-6-20(26-2)19(14-17)23-21(28)25(16-18-4-3-7-22-15-18)9-8-24-10-12-27-13-11-24/h3-7,14-15H,8-13,16H2,1-2H3,(H,23,28)