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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methoxy-phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[4-(1,3-dioxoisoindolin-2-yl)-3-methoxy-phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[4-(1,3-dioxo-2-isoindolyl)-3-methoxyanilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-5-iodo-N-[(3-methoxy-4-phthalimido-phenyl)thiocarbamoyl]benzamide Formula: C23H15ClIN3O4S MolecularWeight: 591.80537

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H15ClIN3O4S/c1-32-19-11-13(26-23(33)27-20(29)16-10-12(25)6-8-17(16)24)7-9-18(19)28-21(30)14-4-2-3-5-15(14)22(28)31/h2-11H,1H3,(H2,26,27,29,33)