propyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate

Systemtic Name: propyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Openeye Name: propyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(pivaloylthiocarbamoylamino)benzoic acid propyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-5-9-21-13(19)11-7-6-8-12(10-11)17-15(22)18-14(20)16(2,3)4/h6-8,10H,5,9H2,1-4H3,(H2,17,18,20,22)