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

Systemtic Name: N-(phenylmethyl)-N-pyridin-2-yl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-benzyl-N-(2-pyridyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(phenylmethyl)-N-(2-pyridinyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-benzyl-N-pyridin-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-N-(2-pyridyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H17N3O4S/c25-20(15-24-21(26)17-10-4-5-11-18(17)29(24,27)28)23(19-12-6-7-13-22-19)14-16-8-2-1-3-9-16/h1-13H,14-15H2