2-[(phenylmethyl)carbamothioylamino]hexanoic acid

Systemtic Name: 2-[(phenylmethyl)carbamothioylamino]hexanoic acid Openeye Name: 2-(benzylcarbamothioylamino)hexanoic acid CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 2-(benzylcarbamothioylamino)hexanoic acid Traditional Name: 2-(benzylthiocarbamoylamino)hexanoic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O2S/c1-2-3-9-12(13(17)18)16-14(19)15-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,17,18)(H2,15,16,19)