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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)OC

InChI

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