(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-propylphenyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(4-propylphenyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(4-propylphenyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-(4-propylphenyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(4-propylphenyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(4-propylphenyl)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-3-7-17-10-12-18(13-11-17)23-22(26)20(14-15-28-2)24-21(25)16-27-19-8-5-4-6-9-19/h4-6,8-13,20H,3,7,14-16H2,1-2H3,(H,23,26)(H,24,25)/t20-/m0/s1