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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-phthalimido-butyramide Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O5S/c24-16(21-19-20-14-8-7-11(23(27)28)10-15(14)29-19)6-3-9-22-17(25)12-4-1-2-5-13(12)18(22)26/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21,24)