2-(4-bromanyl-2-methyl-phenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]acetamide Formula: C17H14BrClN4O5S MolecularWeight: 501.73886

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrClN4O5S/c1-9-6-11(18)3-5-14(9)28-8-15(24)20-17(29)22-21-16(25)10-2-4-12(19)13(7-10)23(26)27/h2-7H,8H2,1H3,(H,21,25)(H2,20,22,24,29)