methyl 6-[(2-quinolin-8-ylsulfanylethanoylamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-quinolin-8-ylsulfanylethanoylamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(8-quinolylsulfanyl)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[1-oxo-2-(8-quinolinylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-quinolin-8-ylsulfanylacetyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(8-quinolylthio)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)CSC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)CSC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C19H24N4O3S2/c1-26-17(25)10-3-2-4-11-21-19(27)23-22-16(24)13-28-15-9-5-7-14-8-6-12-20-18(14)15/h5-9,12H,2-4,10-11,13H2,1H3,(H,22,24)(H2,21,23,27)