(6-nitro-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4S/c11-10(12)18-4-7-2-8(13(14)15)1-6-3-16-5-17-9(6)7/h1-2H,3-5H2,(H3,11,12)