ethyl 2-(phenethylcarbamothioylamino)hexanoate

Systemtic Name: ethyl 2-(phenethylcarbamothioylamino)hexanoate Openeye Name: ethyl 2-(phenethylcarbamothioylamino)hexanoate CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(phenethylcarbamothioylamino)hexanoate Traditional Name: 2-(phenethylthiocarbamoylamino)hexanoic acid ethyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)OCC)NC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O2S/c1-3-5-11-15(16(20)21-4-2)19-17(22)18-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,18,19,22)