3-(2-methylpropylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2-methylpropylcarbamothioylamino)benzoic acid Openeye Name: 3-(isobutylcarbamothioylamino)benzoic acid CAS Name: 3-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(2-methylpropylcarbamothioylamino)benzoic acid Traditional Name: 3-(isobutylthiocarbamoylamino)benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=S)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O2S/c1-8(2)7-13-12(17)14-10-5-3-4-9(6-10)11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)(H2,13,14,17)