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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-iodo-benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-iodobenzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-iodobenzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-4-iodo-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(=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)I)Cl

Isomeric SMILES

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

InChI

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