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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-diethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-diethylphenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-diethylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-diethylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O2S/c1-3-19-8-7-9-20(4-2)24(19)27-25(31)28(16-21-10-5-6-13-26-21)15-18-11-12-22-23(14-18)30-17-29-22/h5-14H,3-4,15-17H2,1-2H3,(H,27,31)