N-(methylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(methylcarbamoyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(methylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(methylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(methylcarbamoyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(methylcarbamoyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C(=O)NC(=O)NC)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H13N3O5S/c1-7(10(16)14-12(18)13-2)15-11(17)8-5-3-4-6-9(8)21(15,19)20/h3-7H,1-2H3,(H2,13,14,16,18)