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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-amyl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CC=N3

Isomeric SMILES

CCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CC=N3

InChI

InChI=1S/C20H25N3O2S/c1-2-3-5-11-22-20(26)23(14-17-7-4-6-10-21-17)13-16-8-9-18-19(12-16)25-15-24-18/h4,6-10,12H,2-3,5,11,13-15H2,1H3,(H,22,26)