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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3OCC

InChI

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