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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-piperonyl-3-(p-tolyl)-1-(2-pyridylmethyl)thiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C22H21N3O2S/c1-16-5-8-18(9-6-16)24-22(28)25(14-19-4-2-3-11-23-19)13-17-7-10-20-21(12-17)27-15-26-20/h2-12H,13-15H2,1H3,(H,24,28)