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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]acetamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O)Br

InChI

InChI=1S/C22H20BrN3O4S/c1-2-13-7-8-19(17(23)9-13)30-12-20(28)24-22(31)26-25-21(29)16-10-14-5-3-4-6-15(14)11-18(16)27/h3-11,27H,2,12H2,1H3,(H,25,29)(H2,24,26,28,31)