(3-oxidanylidene-4H-1,4-benzoxazin-2-yl) carbamimidothioate

Systemtic Name: (3-oxidanylidene-4H-1,4-benzoxazin-2-yl) carbamimidothioate Openeye Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)isothiourea CAS Name: carbamimidothioic acid (3-oxo-4H-1,4-benzoxazin-2-yl) ester IUPAC Name: (3-oxo-4H-1,4-benzoxazin-2-yl) carbamimidothioate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)isothiourea Formula: C9H9N3O2S MolecularWeight: 223.25166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(O2)SC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(O2)SC(=N)N

InChI

InChI=1S/C9H9N3O2S/c10-9(11)15-8-7(13)12-5-3-1-2-4-6(5)14-8/h1-4,8H,(H3,10,11)(H,12,13)