(4-oxidanyl-3-oxidanylidene-1,4-benzothiazin-2-yl) carbamimidothioate

Systemtic Name: (4-oxidanyl-3-oxidanylidene-1,4-benzothiazin-2-yl) carbamimidothioate Openeye Name: 2-(4-hydroxy-3-oxo-1,4-benzothiazin-2-yl)isothiourea CAS Name: carbamimidothioic acid (4-hydroxy-3-oxo-1,4-benzothiazin-2-yl) ester IUPAC Name: (4-hydroxy-3-oxo-1,4-benzothiazin-2-yl) carbamimidothioate Traditional Name: 2-(4-hydroxy-3-keto-1,4-benzothiazin-2-yl)isothiourea Formula: C9H9N3O2S2 MolecularWeight: 255.31666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(S2)SC(=N)N)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(S2)SC(=N)N)O

InChI

InChI=1S/C9H9N3O2S2/c10-9(11)16-8-7(13)12(14)5-3-1-2-4-6(5)15-8/h1-4,8,14H,(H3,10,11)