1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C23H23N3O4S/c1-27-18-6-7-19(21(11-18)28-2)25-23(31)26(14-17-4-3-9-24-12-17)13-16-5-8-20-22(10-16)30-15-29-20/h3-12H,13-15H2,1-2H3,(H,25,31)