ethyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 3-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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