4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanethioamide

Systemtic Name: 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanethioamide Openeye Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanethioamide CAS Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanethioamide IUPAC Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanethioamide Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)thiobutyramide Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC(=S)N

InChI

InChI=1S/C11H12N2O3S2/c12-10(17)6-3-7-13-11(14)8-4-1-2-5-9(8)18(13,15)16/h1-2,4-5H,3,6-7H2,(H2,12,17)