N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C21H17BrIN3O4S MolecularWeight: 614.25085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrIN3O4S/c1-29-16-8-7-13(10-15(16)23)20(28)24-21(31)26-25-18(27)11-30-17-9-6-12-4-2-3-5-14(12)19(17)22/h2-10H,11H2,1H3,(H,25,27)(H2,24,26,28,31)