2-[[6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(5-nitro-1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: 2-[[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(1,3-diketo-5-nitro-isoindolin-2-yl)-1,3-benzothiazol-2-yl]thio]acetamide Formula: C17H10N4O5S2 MolecularWeight: 414.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])SC(=N2)SCC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])SC(=N2)SCC(=O)N

InChI

InChI=1S/C17H10N4O5S2/c18-14(22)7-27-17-19-12-4-2-8(6-13(12)28-17)20-15(23)10-3-1-9(21(25)26)5-11(10)16(20)24/h1-6H,7H2,(H2,18,22)