cyclohexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: cyclohexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: cyclohexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

Isomeric SMILES

CC(C)(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

InChI

InChI=1S/C20H28N2O3S/c1-20(2,3)13-17(23)22-19(26)21-15-11-9-14(10-12-15)18(24)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H2,21,22,23,26)