methyl 4-(phenethylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(phenethylcarbamothioylamino)butanoate Openeye Name: methyl 4-(phenethylcarbamothioylamino)butanoate CAS Name: 4-[[(phenethylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(phenethylcarbamothioylamino)butanoate Traditional Name: 4-(phenethylthiocarbamoylamino)butyric acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-18-13(17)8-5-10-15-14(19)16-11-9-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H2,15,16,19)