(2S)-N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(4-chlorophenyl)ethyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O3S/c1-28-14-12-19(24-20(25)15-27-18-5-3-2-4-6-18)21(26)23-13-11-16-7-9-17(22)10-8-16/h2-10,19H,11-15H2,1H3,(H,23,26)(H,24,25)/t19-/m0/s1