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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-ethylphenyl)acetamide Formula: C25H18N4O5S MolecularWeight: 486.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O5S/c1-2-15-10-12-16(13-11-15)28(25-26-18-7-3-4-9-20(18)35-25)21(30)14-27-23(31)17-6-5-8-19(29(33)34)22(17)24(27)32/h3-13H,2,14H2,1H3