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

Systemtic Name: 2-[[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[6-(4-nitro-1,3-dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[6-(1,3-diketo-4-nitro-isoindolin-2-yl)-1,3-benzothiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C25H18N4O5S2 MolecularWeight: 518.56422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O5S2/c30-21(26-12-11-15-5-2-1-3-6-15)14-35-25-27-18-10-9-16(13-20(18)36-25)28-23(31)17-7-4-8-19(29(33)34)22(17)24(28)32/h1-10,13H,11-12,14H2,(H,26,30)