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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phthalimido-butyramide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C20H16N4O5S/c1-10(2)16(23-18(26)12-5-3-4-6-13(12)19(23)27)17(25)22-20-21-14-8-7-11(24(28)29)9-15(14)30-20/h3-10,16H,1-2H3,(H,21,22,25)