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

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-phenylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[2-(phenylthio)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-[2-(phenylthio)phenyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H16N2O4S2/c24-20(14-23-21(25)16-10-4-7-13-19(16)29(23,26)27)22-17-11-5-6-12-18(17)28-15-8-2-1-3-9-15/h1-13H,14H2,(H,22,24)