(2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSC1=CC=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSC1=CC=C(C=C1)Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O2S/c1-15(2)20(24-19(25)14-16-6-4-3-5-7-16)21(26)23-12-13-27-18-10-8-17(22)9-11-18/h3-11,15,20H,12-14H2,1-2H3,(H,23,26)(H,24,25)/t20-/m0/s1