3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methoxy-benzoic acid

Systemtic Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methoxy-benzoic acid Openeye Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methoxy-benzoic acid CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-(pivaloylthiocarbamoylamino)benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-14(2,3)12(19)16-13(21)15-9-7-8(11(17)18)5-6-10(9)20-4/h5-7H,1-4H3,(H,17,18)(H2,15,16,19,21)