propyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O5S/c1-2-11-28-18(27)10-9-16(25)22-20(30)24-23-17(26)12-29-15-8-7-13-5-3-4-6-14(13)19(15)21/h3-8H,2,9-12H2,1H3,(H,23,26)(H2,22,24,25,30)