2-acetamido-3-methylsulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-acetamido-3-methylsulfanyl-N-(phenylmethyl)propanamide Openeye Name: 2-acetamido-N-benzyl-3-methylsulfanyl-propanamide CAS Name: 2-acetamido-3-(methylthio)-N-(phenylmethyl)propanamide IUPAC Name: 2-acetamido-N-benzyl-3-methylsulfanylpropanamide Traditional Name: 2-acetamido-N-benzyl-3-(methylthio)propionamide Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CSC)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2S/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)