N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C17H14Br2IN3O4S MolecularWeight: 643.08823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Br)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Br)I

InChI

InChI=1S/C17H14Br2IN3O4S/c1-26-14-4-2-9(6-12(14)20)16(25)21-17(28)23-22-15(24)8-27-13-5-3-10(18)7-11(13)19/h2-7H,8H2,1H3,(H,22,24)(H2,21,23,25,28)