N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCSCC1=CC=CC=C1F)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCCSCC1=CC=CC=C1F)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H27FN2O3S2/c1-29-13-11-20(25-21(26)15-28-18-8-3-2-4-9-18)22(27)24-12-14-30-16-17-7-5-6-10-19(17)23/h2-10,20H,11-16H2,1H3,(H,24,27)(H,25,26)