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

Systemtic Name: 2-bromanyl-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2-bromo-3,5-diiodo-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-2-bromo-3,5-diiodobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2-bromo-3,5-diiodobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-2-bromo-3,5-diiodo-benzamide Formula: C17H13BrI2N4O2S2 MolecularWeight: 703.15366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrI2N4O2S2/c1-8(25)21-16(27)22-10-2-4-11(5-3-10)23-17(28)24-15(26)12-6-9(19)7-13(20)14(12)18/h2-7H,1H3,(H2,21,22,25,27)(H2,23,24,26,28)