N-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[2-(1,3-dioxo-2-isoindolyl)ethylthio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[4-(2-phthalimidoethylthio)phenyl]benzamide Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O5S/c27-21(15-5-9-17(10-6-15)26(30)31)24-16-7-11-18(12-8-16)32-14-13-25-22(28)19-3-1-2-4-20(19)23(25)29/h1-12H,13-14H2,(H,24,27)