3-(2,6-diethylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(2,6-diethylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-(4-ethoxybenzyl)-1-(3-morpholinopropyl)thiourea Formula: C27H39N3O2S MolecularWeight: 469.68246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H39N3O2S/c1-4-23-9-7-10-24(5-2)26(23)28-27(33)30(16-8-15-29-17-19-31-20-18-29)21-22-11-13-25(14-12-22)32-6-3/h7,9-14H,4-6,8,15-21H2,1-3H3,(H,28,33)