N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-2-chloranyl-ethanamide

Systemtic Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-2-chloranyl-ethanamide Openeye Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-2-chloro-acetamide CAS Name: N-[1-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-2-chloroacetamide IUPAC Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide Traditional Name: N-[1-[(3-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-2-chloro-acetamide Formula: C13H14Cl4N4O2S MolecularWeight: 432.15286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl

InChI

InChI=1S/C13H14Cl4N4O2S/c1-7(22)18-8-3-2-4-9(5-8)19-12(24)21-11(13(15,16)17)20-10(23)6-14/h2-5,11H,6H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24)