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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O2S/c1-2-3-6-19-8-11-21(12-9-19)27-25(31)28(17-22-7-4-5-14-26-22)16-20-10-13-23-24(15-20)30-18-29-23/h4-5,7-15H,2-3,6,16-18H2,1H3,(H,27,31)