4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isobutyrylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-7(2)11(16)15-13(19)14-10-6-9(12(17)18)5-4-8(10)3/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,19)