methyl 6-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C16H23ClN2O2S/c1-11-9-12(2)15(13(17)10-11)19-16(22)18-8-6-4-5-7-14(20)21-3/h9-10H,4-8H2,1-3H3,(H2,18,19,22)