1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-16-6-5-7-17(2)22(16)25-23(29)26(14-19-8-3-4-11-24-19)13-18-9-10-20-21(12-18)28-15-27-20/h3-12H,13-15H2,1-2H3,(H,25,29)