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

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[(5-chloro-2-methyl-phenyl)carbamothioylamino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[(5-chloro-2-methylphenyl)carbamothioylamino]-2,2-dimethylpropanoic acid Traditional Name: 3-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]-2,2-dimethyl-propionic acid Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2S/c1-8-4-5-9(14)6-10(8)16-12(19)15-7-13(2,3)11(17)18/h4-6H,7H2,1-3H3,(H,17,18)(H2,15,16,19)