N-[2,2,2-tris(chloranyl)-1-[(2-iodanylphenyl)carbamothioylamino]ethyl]hexanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(2-iodanylphenyl)carbamothioylamino]ethyl]hexanamide Openeye Name: N-[2,2,2-trichloro-1-[(2-iodophenyl)carbamothioylamino]ethyl]hexanamide CAS Name: N-[2,2,2-trichloro-1-[[(2-iodoanilino)-sulfanylidenemethyl]amino]ethyl]hexanamide IUPAC Name: N-[2,2,2-trichloro-1-[(2-iodophenyl)carbamothioylamino]ethyl]hexanamide Traditional Name: N-[2,2,2-trichloro-1-[(2-iodophenyl)thiocarbamoylamino]ethyl]hexanamide Formula: C15H19Cl3IN3OS MolecularWeight: 522.65933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1I

Isomeric SMILES

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1I

InChI

InChI=1S/C15H19Cl3IN3OS/c1-2-3-4-9-12(23)21-13(15(16,17)18)22-14(24)20-11-8-6-5-7-10(11)19/h5-8,13H,2-4,9H2,1H3,(H,21,23)(H2,20,22,24)