1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isobutyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropyl)thiourea Traditional Name: 1-isobutyl-3-piperonyl-thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H18N2O2S/c1-9(2)6-14-13(18)15-7-10-3-4-11-12(5-10)17-8-16-11/h3-5,9H,6-8H2,1-2H3,(H2,14,15,18)