methyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: methyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 3-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-15(2,3)9-12(18)17-14(21)16-11-7-5-6-10(8-11)13(19)20-4/h5-8H,9H2,1-4H3,(H2,16,17,18,21)