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

Systemtic Name: N-cyclopropyl-2-[[6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[6-(5-nitro-1,3-dioxo-isoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[6-(5-nitro-1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[6-(1,3-diketo-5-nitro-isoindolin-2-yl)-1,3-benzothiazol-2-yl]thio]acetamide Formula: C20H14N4O5S2 MolecularWeight: 454.47896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S2/c25-17(21-10-1-2-10)9-30-20-22-15-6-4-11(8-16(15)31-20)23-18(26)13-5-3-12(24(28)29)7-14(13)19(23)27/h3-8,10H,1-2,9H2,(H,21,25)