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

Systemtic Name: N-cyclohexyl-2-[[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[6-(4-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[6-(1,3-diketo-4-nitro-isoindolin-2-yl)-1,3-benzothiazol-2-yl]thio]acetamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c28-19(24-13-5-2-1-3-6-13)12-33-23-25-16-10-9-14(11-18(16)34-23)26-21(29)15-7-4-8-17(27(31)32)20(15)22(26)30/h4,7-11,13H,1-3,5-6,12H2,(H,24,28)