5-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-thioxo-1,3-benzothiazol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-thioxo-1,3-benzothiazol-3-yl)methylene]barbituric acid Formula: C12H7N3O3S2 MolecularWeight: 305.33228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C12H7N3O3S2/c16-9-6(10(17)14-11(18)13-9)5-15-7-3-1-2-4-8(7)20-12(15)19/h1-5H,(H2,13,14,16,17,18)