N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-2-3-4-5-6-11-18(26)23-21(29)25-24-19(27)14-28-17-13-12-15-9-7-8-10-16(15)20(17)22/h7-10,12-13H,2-6,11,14H2,1H3,(H,24,27)(H2,23,25,26,29)