N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O3S/c1-3-4-5-6-7-8-16(23)20-18(26)22-21-17(24)12-25-14-9-10-15(19)13(2)11-14/h9-11H,3-8,12H2,1-2H3,(H,21,24)(H2,20,22,23,26)