2-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,5-bis(iodanyl)benzamide

Systemtic Name: 2-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3,5-diiodo-benzamide CAS Name: 2-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3,5-diiodobenzamide Traditional Name: 2-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3,5-diiodo-benzamide Formula: C18H15BrClI2N3O2S MolecularWeight: 706.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C18H15BrClI2N3O2S/c1-2-3-15(26)23-10-4-5-12(20)14(8-10)24-18(28)25-17(27)11-6-9(21)7-13(22)16(11)19/h4-8H,2-3H2,1H3,(H,23,26)(H2,24,25,27,28)