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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-piperonyl-thiourea Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S2/c1-19-6-2-5-14-13(18)15-8-10-3-4-11-12(7-10)17-9-16-11/h3-4,7H,2,5-6,8-9H2,1H3,(H2,14,15,18)