ethyl (E)-4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COC1=C(C2=CC=CC=C2C=C1)Br

InChI

InChI=1S/C19H18BrN3O5S/c1-2-27-17(26)10-9-15(24)21-19(29)23-22-16(25)11-28-14-8-7-12-5-3-4-6-13(12)18(14)20/h3-10H,2,11H2,1H3,(H,22,25)(H2,21,23,24,29)/b10-9+