6-(phenylcarbamothioylamino)hexanoic acid

Systemtic Name: 6-(phenylcarbamothioylamino)hexanoic acid Openeye Name: 6-(phenylcarbamothioylamino)hexanoic acid CAS Name: 6-[[anilino(sulfanylidene)methyl]amino]hexanoic acid IUPAC Name: 6-(phenylcarbamothioylamino)hexanoic acid Traditional Name: 6-(phenylthiocarbamoylamino)hexanoic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)O

InChI

InChI=1S/C13H18N2O2S/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)(H2,14,15,18)