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

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(2-ethoxyphenyl)methyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(2-ethoxyphenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-(2-ethoxybenzyl)-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea Formula: C25H43N3O2S MolecularWeight: 449.69282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2OCC

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2OCC

InChI

InChI=1S/C25H43N3O2S/c1-4-7-8-13-23(5-2)26-25(31)28(16-11-15-27-17-19-29-20-18-27)21-22-12-9-10-14-24(22)30-6-3/h9-10,12,14,23H,4-8,11,13,15-21H2,1-3H3,(H,26,31)