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

Systemtic Name: N-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(1,3-dioxo-2-isoindolyl)methylthio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[4-(phthalimidomethylthio)phenyl]benzamide Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=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)CSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5S/c26-20(14-5-9-16(10-6-14)25(29)30)23-15-7-11-17(12-8-15)31-13-24-21(27)18-3-1-2-4-19(18)22(24)28/h1-12H,13H2,(H,23,26)