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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-furamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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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)C3=CC=CO3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)C3=CC=CO3)F

InChI

InChI=1S/C22H26FN3O4S/c1-15(27)16-5-6-19(17(23)14-16)25-8-10-26(11-9-25)22(29)18(7-13-31-2)24-21(28)20-4-3-12-30-20/h3-6,12,14,18H,7-11,13H2,1-2H3,(H,24,28)/t18-/m0/s1