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

Systemtic Name: N-octyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-octyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-octyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-octyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-octyl-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCCCCNC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C18H26N2O4S/c1-2-3-4-5-6-9-13-19-17(21)12-14-20-18(22)15-10-7-8-11-16(15)25(20,23)24/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,19,21)