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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O5S/c1-3-11(2)17(24-19(27)13-6-4-5-7-14(13)20(24)28)18(26)23-21-22-15-9-8-12(25(29)30)10-16(15)31-21/h4-11,17H,3H2,1-2H3,(H,22,23,26)