methyl 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-2,2-dimethyl-propanoate CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-chloro-2-methylphenyl)carbamothioylamino]-2,2-dimethylpropanoate Traditional Name: 3-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]-2,2-dimethyl-propionic acid methyl ester Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC(C)(C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC(C)(C)C(=O)OC

InChI

InChI=1S/C14H19ClN2O2S/c1-9-5-6-10(15)7-11(9)17-13(20)16-8-14(2,3)12(18)19-4/h5-7H,8H2,1-4H3,(H2,16,17,20)