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6-(phenethylcarbamothioylamino)hexanoic acid

6-(phenethylcarbamothioylamino)hexanoic acid

Systemtic Name:6-(phenethylcarbamothioylamino)hexanoic acid
Openeye Name:6-(phenethylcarbamothioylamino)hexanoic acid
CAS Name:6-[[(phenethylamino)-sulfanylidenemethyl]amino]hexanoic acid
IUPAC Name:6-(phenethylcarbamothioylamino)hexanoic acid
Traditional Name:6-(phenethylthiocarbamoylamino)hexanoic acid
Formula: C15H22N2O2S
MolecularWeight: 294.41238
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H22N2O2S/c18-14(19)9-5-2-6-11-16-15(20)17-12-10-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,19)(H2,16,17,20)


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