hexyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(pivaloylthiocarbamoylamino)benzoic acid hexyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-5-6-7-8-13-24-16(22)14-9-11-15(12-10-14)20-18(25)21-17(23)19(2,3)4/h9-12H,5-8,13H2,1-4H3,(H2,20,21,23,25)