(2S)-N-methyl-4-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-methyl-4-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-methyl-4-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-methyl-4-(methylthio)-N-[[4-(methylthio)phenyl]methyl]-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-methyl-4-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-methyl-4-(methylthio)-N-[4-(methylthio)benzyl]-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S2/c1-24(15-17-9-11-19(29-3)12-10-17)22(26)20(13-14-28-2)23-21(25)16-27-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,23,25)/t20-/m0/s1