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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(4-ethoxyphenyl)methyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(4-ethoxyphenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-(4-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=C(C=C2)OCC

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(C=C2)OCC

InChI

InChI=1S/C25H43N3O2S/c1-4-7-8-10-23(5-2)26-25(31)28(16-9-15-27-17-19-29-20-18-27)21-22-11-13-24(14-12-22)30-6-3/h11-14,23H,4-10,15-21H2,1-3H3,(H,26,31)