1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-sec-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-ylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butan-2-ylthiourea Traditional Name: 1-piperonyl-3-sec-butyl-thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N2O2S/c1-3-9(2)15-13(18)14-7-10-4-5-11-12(6-10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3,(H2,14,15,18)