2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide Openeye Name: 2-[(1,6-dibromo-2-naphthyl)oxy]-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide CAS Name: 2-[(1,6-dibromo-2-naphthalenyl)oxy]-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide Traditional Name: 2-(1,6-dibromo-2-naphthoxy)-N-[(hydrocinnamoylamino)thiocarbamoyl]acetamide Formula: C22H19Br2N3O3S MolecularWeight: 565.27756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Br2N3O3S/c23-16-8-9-17-15(12-16)7-10-18(21(17)24)30-13-20(29)25-22(31)27-26-19(28)11-6-14-4-2-1-3-5-14/h1-5,7-10,12H,6,11,13H2,(H,26,28)(H2,25,27,29,31)