N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-2-(4-methoxyphenyl)acetamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-25-14-6-2-12(3-7-14)10-16(23)20-18(27)22-21-17(24)11-26-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,27)