N-hexyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: N-hexyl-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: N-hexyl-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-(4-phenylthiazol-2-yl)acetamide CAS Name: N-hexyl-2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: N-hexyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-hexyl-N-(4-phenylthiazol-2-yl)acetamide Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5S/c1-2-3-4-8-13-27(25-26-21(16-35-25)17-9-6-5-7-10-17)22(30)15-28-23(31)19-12-11-18(29(33)34)14-20(19)24(28)32/h5-7,9-12,14,16H,2-4,8,13,15H2,1H3