methyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C18H17Br2N3O5S MolecularWeight: 547.21768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

InChI

InChI=1S/C18H17Br2N3O5S/c1-27-16(26)7-6-14(24)21-18(29)23-22-15(25)9-28-13-5-2-10-8-11(19)3-4-12(10)17(13)20/h2-5,8H,6-7,9H2,1H3,(H,22,25)(H2,21,23,24,29)