4-[(2-methylpropylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-methylpropylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(isobutylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(2-methylpropylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2-methylpropylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(isobutylthiocarbamoylamino)methyl]benzoic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=S)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18N2O2S/c1-9(2)7-14-13(18)15-8-10-3-5-11(6-4-10)12(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)