N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24ClFN2O3S/c1-25(13-16-17(22)9-6-10-18(16)23)21(27)19(11-12-29-2)24-20(26)14-28-15-7-4-3-5-8-15/h3-10,19H,11-14H2,1-2H3,(H,24,26)