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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]acetamide Formula: C18H16BrClN4O5S MolecularWeight: 515.76544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16BrClN4O5S/c1-2-10-3-6-15(12(19)7-10)29-9-16(25)21-18(30)23-22-17(26)11-4-5-13(20)14(8-11)24(27)28/h3-8H,2,9H2,1H3,(H,22,26)(H2,21,23,25,30)