N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-5-iodo-benzamide Formula: C22H13ClIN3O3S MolecularWeight: 561.77939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

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