N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C19H19Br2N3O3S MolecularWeight: 529.24546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C19H19Br2N3O3S/c1-12-9-14(20)10-15(21)18(12)27-11-17(26)23-24-19(28)22-16(25)8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,23,26)(H2,22,24,25,28)