N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-5-iodo-N-[(3-phthalimidophenyl)thiocarbamoyl]benzamide Formula: C22H13ClIN3O3S MolecularWeight: 561.77939

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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=C(C=CC(=C4)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClIN3O3S/c23-18-9-8-12(24)10-17(18)19(28)26-22(31)25-13-4-3-5-14(11-13)27-20(29)15-6-1-2-7-16(15)21(27)30/h1-11H,(H2,25,26,28,31)