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

Systemtic Name: N-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-(1,3-dioxo-2-isoindolyl)ethylthio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-nitrobenzamide Traditional Name: 3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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