N-(6-methyl-1,3-benzothiazol-2-yl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)hexanamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c1-13-9-10-15-17(12-13)32-22(23-15)24-18(27)8-3-2-4-11-25-20(28)14-6-5-7-16(26(30)31)19(14)21(25)29/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,23,24,27)