3-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: 3-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: 3-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 3-(isovalerylthiocarbamoylamino)benzoate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-8(2)6-11(16)15-13(19)14-10-5-3-4-9(7-10)12(17)18/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H2,14,15,16,19)/p-1