methyl N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate

Systemtic Name: methyl N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate Openeye Name: 3-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-2-methyl-isothiourea CAS Name: N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate Traditional Name: 2-methyl-3-[(Z)-piperonylideneamino]isothiourea Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CSC(=N/N=C\C1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C10H11N3O2S/c1-16-10(11)13-12-5-7-2-3-8-9(4-7)15-6-14-8/h2-5H,6H2,1H3,(H2,11,13)/b12-5-