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

Systemtic Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-3-iodanyl-benzamide Openeye Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-3-iodo-benzamide CAS Name: N-[1-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-3-iodobenzamide IUPAC Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-iodobenzamide Traditional Name: N-[1-[(3-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-3-iodo-benzamide Formula: C18H16Cl3IN4O2S MolecularWeight: 585.67371

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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)C2=CC(=CC=C2)I

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H16Cl3IN4O2S/c1-10(27)23-13-6-3-7-14(9-13)24-17(29)26-16(18(19,20)21)25-15(28)11-4-2-5-12(22)8-11/h2-9,16H,1H3,(H,23,27)(H,25,28)(H2,24,26,29)