hexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid hexyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-5-6-7-8-13-25-18(24)15-9-11-16(12-10-15)21-19(26)22-17(23)14-20(2,3)4/h9-12H,5-8,13-14H2,1-4H3,(H2,21,22,23,26)