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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C17H15BrN4O5S MolecularWeight: 467.2938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN4O5S/c1-10-8-12(18)4-7-14(10)27-9-15(23)19-17(28)21-20-16(24)11-2-5-13(6-3-11)22(25)26/h2-8H,9H2,1H3,(H,20,24)(H2,19,21,23,28)