2-bromanyl-3,5-bis(iodanyl)-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C17H14BrI2N3O2S MolecularWeight: 658.0899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrI2N3O2S/c1-2-14(24)23-17(26)22-11-5-3-10(4-6-11)21-16(25)12-7-9(19)8-13(20)15(12)18/h3-8H,2H2,1H3,(H,21,25)(H2,22,23,24,26)