methyl (NE)-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate

Systemtic Name: methyl (NE)-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate Openeye Name: (1E)-3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(dimethylaminomethylene)-2-methyl-isothiourea CAS Name: (NE)-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate Traditional Name: (1E)-1-(dimethylaminomethylene)-2-methyl-3-[(E)-piperonylideneamino]isothiourea Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC(=NN=CC1=CC2=C(C=C1)OCO2)SC

Isomeric SMILES

CN(C)/C=N/C(=N/N=C/C1=CC2=C(C=C1)OCO2)/SC

InChI

InChI=1S/C13H16N4O2S/c1-17(2)8-14-13(20-3)16-15-7-10-4-5-11-12(6-10)19-9-18-11/h4-8H,9H2,1-3H3/b14-8+,15-7+,16-13-