(6-nitro-4H-1,3-benzodioxin-8-yl)methyl N,N'-dimethylcarbamimidothioate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N,N'-dimethylcarbamimidothioate Openeye Name: 1,3-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N,N'-dimethylcarbamimidothioate Traditional Name: 1,3-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CNC(=NC)SCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C12H15N3O4S/c1-13-12(14-2)20-6-9-4-10(15(16)17)3-8-5-18-7-19-11(8)9/h3-4H,5-7H2,1-2H3,(H,13,14)