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

Systemtic Name: N-butyl-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-butyl-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-2-3-9-15-13(17)8-10-16-14(18)11-6-4-5-7-12(11)21(16,19)20/h4-7H,2-3,8-10H2,1H3,(H,15,17)