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

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H17Br2N3O4S MolecularWeight: 567.25038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Br2N3O4S/c1-29-15-6-2-12(3-7-15)20(28)24-21(31)26-25-18(27)11-30-17-9-4-13-10-14(22)5-8-16(13)19(17)23/h2-10H,11H2,1H3,(H,25,27)(H2,24,26,28,31)