N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-28-15-9-6-14(7-10-15)20(27)23-21(30)25-24-18(26)12-29-17-11-8-13-4-2-3-5-16(13)19(17)22/h2-11H,12H2,1H3,(H,24,26)(H2,23,25,27,30)