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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C15H16N4O4S/c20-14(17-6-3-8-18-9-7-16-11-18)10-19-15(21)12-4-1-2-5-13(12)24(19,22)23/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,17,20)