methyl 6-[[(2-chlorophenyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-chlorophenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-chloroanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-chlorophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chloroanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(2-chloroanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H20ClN3O2S MolecularWeight: 329.8455

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=CC=CC=C1Cl

InChI

InChI=1S/C14H20ClN3O2S/c1-20-13(19)9-3-2-6-10-16-14(21)18-17-12-8-5-4-7-11(12)15/h4-5,7-8,17H,2-3,6,9-10H2,1H3,(H2,16,18,21)