N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C20H14Br2FN3O3S MolecularWeight: 555.214863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)F

InChI

InChI=1S/C20H14Br2FN3O3S/c21-13-4-7-15-12(9-13)3-8-16(18(15)22)29-10-17(27)25-26-20(30)24-19(28)11-1-5-14(23)6-2-11/h1-9H,10H2,(H,25,27)(H2,24,26,28,30)