5-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H24BrN3O5S/c1-32-21-10-8-17(14-22(21)33-2)23(30)28-29-25(35)27-24(31)19-15-18(26)9-11-20(19)34-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,28,30)(H2,27,29,31,35)