4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(isobutyrylthiocarbamoylamino)-4-methyl-benzoate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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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)/p-1