N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C17H23BrClN3O3S MolecularWeight: 464.80482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C17H23BrClN3O3S/c1-2-3-4-5-6-7-15(23)20-17(26)22-21-16(24)11-25-14-9-8-12(18)10-13(14)19/h8-10H,2-7,11H2,1H3,(H,21,24)(H2,20,22,23,26)