methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(pivaloylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C14H18N2O3S/c1-14(2,3)12(18)16-13(20)15-10-7-5-6-9(8-10)11(17)19-4/h5-8H,1-4H3,(H2,15,16,18,20)