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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(3,4-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=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)C

Isomeric SMILES

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

InChI

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