1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-butylthiourea Traditional Name: 1-butyl-3-piperonyl-thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

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