2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid Formula: C16H22FN3O3S MolecularWeight: 355.427583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FN3O3S/c1-24-11-6-14(15(21)22)18-16(23)20-9-7-19(8-10-20)13-4-2-12(17)3-5-13/h2-5,14H,6-11H2,1H3,(H,18,23)(H,21,22)