1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-piperonyl-3-p-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

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