2-[[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: 2-[[6-(4-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(1,3-diketo-4-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(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)N

InChI

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