2-(phenylcarbonylcarbamothioylamino)hexanoic acid

Systemtic Name: 2-(phenylcarbonylcarbamothioylamino)hexanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)hexanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]hexanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)hexanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)hexanoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-2-3-9-11(13(18)19)15-14(20)16-12(17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,18,19)(H2,15,16,17,20)