N-(2-phenylsulfanylethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-phenylsulfanylethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[2-(phenylthio)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-[2-(phenylthio)ethyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H16N2O4S2/c20-16(18-10-11-24-13-6-2-1-3-7-13)12-19-17(21)14-8-4-5-9-15(14)25(19,22)23/h1-9H,10-12H2,(H,18,20)