(2E)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-N-octadecyl-ethanamide

Systemtic Name: (2E)-2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-N-octadecyl-ethanamide Openeye Name: (2E)-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-N-octadecyl-acetamide CAS Name: (2E)-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-N-octadecylacetamide IUPAC Name: (2E)-2-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-N-octadecylacetamide Traditional Name: (2E)-2-(1,1-diketo-1,2-benzothiazol-3-ylidene)-N-stearyl-acetamide Formula: C27H44N2O3S MolecularWeight: 476.71486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C=C1C2=CC=CC=C2S(=O)(=O)N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)/C=C/1\C2=CC=CC=C2S(=O)(=O)N1

InChI

InChI=1S/C27H44N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-27(30)23-25-24-20-17-18-21-26(24)33(31,32)29-25/h17-18,20-21,23,29H,2-16,19,22H2,1H3,(H,28,30)/b25-23+