methyl 6-(phenethylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(phenethylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(phenethylcarbamothioylamino)hexanoate CAS Name: 6-[[(phenethylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(phenethylcarbamothioylamino)hexanoate Traditional Name: 6-(phenethylthiocarbamoylamino)hexanoic acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C16H24N2O2S/c1-20-15(19)10-6-3-7-12-17-16(21)18-13-11-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H2,17,18,21)