5-bromanyl-2-ethoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-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=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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