2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(3-iodophenyl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(3-iodophenyl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(3-iodophenyl)acetamide Formula: C16H14IN3O3S MolecularWeight: 455.27013

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)I)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)I)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H14IN3O3S/c1-20(10-15(21)18-12-6-4-5-11(17)9-12)16-13-7-2-3-8-14(13)24(22,23)19-16/h2-9H,10H2,1H3,(H,18,21)