methyl 6-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)COC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)COC1=CC=CC=C1Cl

InChI

InChI=1S/C16H22ClN3O4S/c1-23-15(22)9-3-2-6-10-18-16(25)20-19-14(21)11-24-13-8-5-4-7-12(13)17/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,19,21)(H2,18,20,25)