2-(2-bromanyl-4-ethyl-phenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C18H17BrN4O5S MolecularWeight: 481.32038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O5S/c1-2-11-6-7-15(14(19)8-11)28-10-16(24)20-18(29)22-21-17(25)12-4-3-5-13(9-12)23(26)27/h3-9H,2,10H2,1H3,(H,21,25)(H2,20,22,24,29)