3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(3-morpholinopropyl)-1-(o-tolylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-(2-methylbenzyl)-1-(3-morpholinopropyl)-3-piperonyl-thiourea Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCCN2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CN(CCCN2CCOCC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O3S/c1-19-5-2-3-6-21(19)17-27(10-4-9-26-11-13-28-14-12-26)24(31)25-16-20-7-8-22-23(15-20)30-18-29-22/h2-3,5-8,15H,4,9-14,16-18H2,1H3,(H,25,31)