1-(1,3-benzodioxol-5-yl)ethyl carbamimidothioate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)ethyl carbamimidothioate Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 1-(1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethyl carbamimidothioate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]isothiourea Formula: C10H12N2O2S MolecularWeight: 224.27948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)SC(=N)N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)SC(=N)N

InChI

InChI=1S/C10H12N2O2S/c1-6(15-10(11)12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3,(H3,11,12)