4-iodanyl-N-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 4-iodanyl-N-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 4-iodo-N-[2,2,2-trichloro-1-(p-tolylcarbamothioylamino)ethyl]benzamide CAS Name: 4-iodo-N-[2,2,2-trichloro-1-[[(4-methylanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-iodo-N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 4-iodo-N-[2,2,2-trichloro-1-(p-tolylthiocarbamoylamino)ethyl]benzamide Formula: C17H15Cl3IN3OS MolecularWeight: 542.64897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H15Cl3IN3OS/c1-10-2-8-13(9-3-10)22-16(26)24-15(17(18,19)20)23-14(25)11-4-6-12(21)7-5-11/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)