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

Systemtic Name: methyl 4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2S/c1-9-7-10(2)13(11(15)8-9)17-14(20)16-6-4-5-12(18)19-3/h7-8H,4-6H2,1-3H3,(H2,16,17,20)