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

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H15BrI2N4O2S2 MolecularWeight: 717.18024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrI2N4O2S2/c1-2-14(26)24-17(28)22-10-3-5-11(6-4-10)23-18(29)25-16(27)12-7-9(20)8-13(21)15(12)19/h3-8H,2H2,1H3,(H2,22,24,26,28)(H2,23,25,27,29)