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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C15H19Br2N3O3S MolecularWeight: 481.20266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

InChI

InChI=1S/C15H19Br2N3O3S/c1-3-4-5-12(21)18-15(24)20-19-13(22)8-23-14-9(2)6-10(16)7-11(14)17/h6-7H,3-5,8H2,1-2H3,(H,19,22)(H2,18,20,21,24)