N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C17H14Br3N3O3S MolecularWeight: 580.08836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br)Br)Br

InChI

InChI=1S/C17H14Br3N3O3S/c1-9-6-10(18)7-13(20)15(9)26-8-14(24)22-23-17(27)21-16(25)11-4-2-3-5-12(11)19/h2-7H,8H2,1H3,(H,22,24)(H2,21,23,25,27)