methyl 6-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(5-chloro-2-hydroxy-benzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(5-chloro-2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(5-chloro-2-hydroxybenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(5-chloro-2-hydroxy-benzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20ClN3O4S MolecularWeight: 373.855

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C15H20ClN3O4S/c1-23-13(21)5-3-2-4-8-17-15(24)19-18-14(22)11-9-10(16)6-7-12(11)20/h6-7,9,20H,2-5,8H2,1H3,(H,18,22)(H2,17,19,24)