N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-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(=CC=C2)[N+](=O)[O-])Br)Br

Isomeric SMILES

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

InChI

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