N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H16Br2IN3O3S MolecularWeight: 677.14751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)I

InChI

InChI=1S/C21H16Br2IN3O3S/c1-11-2-3-13(9-16(11)24)20(29)25-21(31)27-26-18(28)10-30-17-7-4-12-8-14(22)5-6-15(12)19(17)23/h2-9H,10H2,1H3,(H,26,28)(H2,25,27,29,31)