2-methyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanethioamide

Systemtic Name: 2-methyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanethioamide Openeye Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanethioamide CAS Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanethioamide IUPAC Name: 2-methyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanethioamide Traditional Name: 2-methyl-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)thiopropionamide Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)C(=S)N

Isomeric SMILES

CC(CN1C(=O)C2=CC=CC=C2S1(=O)=O)C(=S)N

InChI

InChI=1S/C11H12N2O3S2/c1-7(10(12)17)6-13-11(14)8-4-2-3-5-9(8)18(13,15)16/h2-5,7H,6H2,1H3,(H2,12,17)