N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-phenoxy-acetamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2

InChI

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