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

Systemtic Name: propyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H21Br2N3O5S MolecularWeight: 575.27084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Br2N3O5S/c1-2-9-29-18(28)8-7-16(26)23-20(31)25-24-17(27)11-30-15-6-3-12-10-13(21)4-5-14(12)19(15)22/h3-6,10H,2,7-9,11H2,1H3,(H,24,27)(H2,23,25,26,31)