5-bromanyl-2-ethoxy-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-benzyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-benzoxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-ethoxy-benzamide Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O4S/c1-2-31-21-13-12-17(25)14-19(21)22(29)26-24(33)28-27-23(30)18-10-6-7-11-20(18)32-15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,27,30)(H2,26,28,29,33)