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

Systemtic Name: ethyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H19Br2N3O5S MolecularWeight: 561.24426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Br2N3O5S/c1-2-28-17(27)8-7-15(25)22-19(30)24-23-16(26)10-29-14-6-3-11-9-12(20)4-5-13(11)18(14)21/h3-6,9H,2,7-8,10H2,1H3,(H,23,26)(H2,22,24,25,30)