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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)propyl]thiourea Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCCCNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H16N2O2S2/c1-18-6-2-5-13-12(17)14-9-3-4-10-11(7-9)16-8-15-10/h3-4,7H,2,5-6,8H2,1H3,(H2,13,14,17)