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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-nitro-benzamide Formula: C17H14Br2N4O5S MolecularWeight: 546.18986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C17H14Br2N4O5S/c1-9-6-11(18)7-13(19)15(9)28-8-14(24)21-22-17(29)20-16(25)10-2-4-12(5-3-10)23(26)27/h2-7H,8H2,1H3,(H,21,24)(H2,20,22,25,29)