2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]acetamide Formula: C22H17BrClN3O3S MolecularWeight: 518.81068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C22H17BrClN3O3S/c23-17-10-11-19(18(24)12-17)30-13-20(28)25-22(31)27-26-21(29)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,26,29)(H2,25,27,28,31)