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

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]acetamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-12-8-15(6-7-17(12)22)29-11-19(27)23-21(30)25-24-20(28)16-9-13-4-2-3-5-14(13)10-18(16)26/h2-10,26H,11H2,1H3,(H,24,28)(H2,23,25,27,30)