S-[(4-phenylbutanoylamino)methyl] ethanethioate

Systemtic Name: S-[(4-phenylbutanoylamino)methyl] ethanethioate Openeye Name: S-[(4-phenylbutanoylamino)methyl] ethanethioate CAS Name: ethanethioic acid S-[[(1-oxo-4-phenylbutyl)amino]methyl] ester IUPAC Name: S-[(4-phenylbutanoylamino)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(4-phenylbutanoylamino)methyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCNC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCNC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S/c1-11(15)17-10-14-13(16)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,16)