(E)-N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O3S/c23-21-17-9-5-4-8-16(17)11-12-18(21)29-14-20(28)25-26-22(30)24-19(27)13-10-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H2,24,26,27,30)/b13-10+