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

Systemtic Name: N-heptan-2-yl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(1-methylhexyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-heptan-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-heptan-2-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(1-methylhexyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C16H22N2O4S/c1-3-4-5-8-12(2)17-15(19)11-18-16(20)13-9-6-7-10-14(13)23(18,21)22/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,19)