ethyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(pivaloylthiocarbamoylamino)benzoic acid ethyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C15H20N2O3S/c1-5-20-12(18)10-7-6-8-11(9-10)16-14(21)17-13(19)15(2,3)4/h6-9H,5H2,1-4H3,(H2,16,17,19,21)