3-(4-butylphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3OCC

InChI

InChI=1S/C27H39N3O2S/c1-3-5-9-23-12-14-25(15-13-23)28-27(33)30(17-8-16-29-18-20-31-21-19-29)22-24-10-6-7-11-26(24)32-4-2/h6-7,10-15H,3-5,8-9,16-22H2,1-2H3,(H,28,33)