2-chloranyl-N-[(3-ethanoylphenyl)carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3-ethanoylphenyl)carbamothioyl]-5-iodanyl-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C16H12ClIN2O2S MolecularWeight: 458.70115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClIN2O2S/c1-9(21)10-3-2-4-12(7-10)19-16(23)20-15(22)13-8-11(18)5-6-14(13)17/h2-8H,1H3,(H2,19,20,22,23)