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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-iodanylphenyl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)hexanamide Formula: C19H20IN3O3S MolecularWeight: 497.34987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC(=CC=C1)I)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NC1=CC(=CC=C1)I)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20IN3O3S/c1-2-3-10-16(19(24)21-14-8-6-7-13(20)12-14)22-18-15-9-4-5-11-17(15)27(25,26)23-18/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,24)(H,22,23)