N-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)NC(=O)COC3=CC=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)COC3=CC=CC=C3)F

InChI

InChI=1S/C25H30FN3O4S/c1-18(30)19-8-9-23(21(26)16-19)28-11-13-29(14-12-28)25(32)22(10-15-34-2)27-24(31)17-33-20-6-4-3-5-7-20/h3-9,16,22H,10-15,17H2,1-2H3,(H,27,31)/t22-/m0/s1