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

Systemtic Name: N-octyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-octyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-octyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-octyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-octyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C17H24N2O4S MolecularWeight: 352.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCCCCNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C17H24N2O4S/c1-2-3-4-5-6-9-12-18-16(20)13-19-17(21)14-10-7-8-11-15(14)24(19,22)23/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,18,20)