1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-o-phenetyl-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-2-27-20-8-4-3-7-19(20)25-23(30)26(15-18-6-5-11-24-13-18)14-17-9-10-21-22(12-17)29-16-28-21/h3-13H,2,14-16H2,1H3,(H,25,30)