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

Systemtic Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 4-methyl-3-(pivaloylthiocarbamoylamino)benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C14H18N2O3S/c1-8-5-6-9(11(17)18)7-10(8)15-13(20)16-12(19)14(2,3)4/h5-7H,1-4H3,(H,17,18)(H2,15,16,19,20)