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

Systemtic Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(2,4-dichlorobenzyl)-N-methyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H24Cl2N2O3S MolecularWeight: 455.39786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O3S/c1-25(13-15-8-9-16(22)12-18(15)23)21(27)19(10-11-29-2)24-20(26)14-28-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,24,26)/t19-/m0/s1