2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C17H14Br2N4O5S MolecularWeight: 546.18986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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