5-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O5S/c1-32-19-8-10-20(11-9-19)34-16-23(30)28-29-25(35)27-24(31)21-15-18(26)7-12-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,28,30)(H2,27,29,31,35)