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

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)hexanamide Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)hexanamide CAS Name: 6-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)hexanamide IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)hexanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-6-phthalimido-hexanamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c26-18(23-21-22-16-10-9-13(25(29)30)12-17(16)31-21)8-2-1-5-11-24-19(27)14-6-3-4-7-15(14)20(24)28/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23,26)