2-methylpropyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-12(2)11-23-16(22)13-6-8-14(9-7-13)19-17(24)20-15(21)10-18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H2,19,20,21,24)