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

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H16N2O4S2/c1-11(16(20)18-13-8-4-5-9-14(13)24-2)19-17(21)12-7-3-6-10-15(12)25(19,22)23/h3-11H,1-2H3,(H,18,20)