3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-(4-ethoxybenzyl)-1-(3-morpholinopropyl)-3-piperonyl-thiourea Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CCCN2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CCCN2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O4S/c1-2-30-22-7-4-20(5-8-22)18-28(11-3-10-27-12-14-29-15-13-27)25(33)26-17-21-6-9-23-24(16-21)32-19-31-23/h4-9,16H,2-3,10-15,17-19H2,1H3,(H,26,33)