N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: 2-iodo-N-[(3-phthalimidophenyl)thiocarbamoyl]benzamide Formula: C22H14IN3O3S MolecularWeight: 527.33433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C22H14IN3O3S/c23-18-11-4-3-10-17(18)19(27)25-22(30)24-13-6-5-7-14(12-13)26-20(28)15-8-1-2-9-16(15)21(26)29/h1-12H,(H2,24,25,27,30)