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

Systemtic Name: 5-bromanyl-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-isopropoxy-benzamide Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O4S/c1-16(2)33-22-13-10-19(26)14-21(22)24(31)27-25(34)29-28-23(30)18-8-11-20(12-9-18)32-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,28,30)(H2,27,29,31,34)