(2S)-N-(3-bromophenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(3-bromophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(3-bromophenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(3-bromophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(3-bromophenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)Br)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC(=CC=C1)Br)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H21BrN2O3S/c1-26-11-10-17(19(24)21-15-7-5-6-14(20)12-15)22-18(23)13-25-16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1