2-(4-bromanylphenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]acetamide Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H16BrN3O4S/c21-14-5-7-15(8-6-14)28-11-18(26)22-20(29)24-23-19(27)16-9-12-3-1-2-4-13(12)10-17(16)25/h1-10,25H,11H2,(H,23,27)(H2,22,24,26,29)