3-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]benzoic acid

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]benzoic acid Openeye Name: 3-[(tert-butoxycarbonylamino)carbamothioyl]benzoic acid CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-sulfanylidenemethyl]benzoic acid IUPAC Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]benzoic acid Traditional Name: 3-[(tert-butoxycarbonylamino)thiocarbamoyl]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)C1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)C1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-13(2,3)19-12(18)15-14-10(20)8-5-4-6-9(7-8)11(16)17/h4-7H,1-3H3,(H,14,20)(H,15,18)(H,16,17)