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

Systemtic Name: methyl 6-[[(5-chloranyl-2-methoxy-phenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(5-chloro-2-methoxy-benzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(5-chloro-2-methoxybenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(5-chloro-2-methoxy-benzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H22ClN3O4S/c1-23-13-8-7-11(17)10-12(13)15(22)19-20-16(25)18-9-5-3-4-6-14(21)24-2/h7-8,10H,3-6,9H2,1-2H3,(H,19,22)(H2,18,20,25)