1-[(2S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C16H23FN4O4S2 MolecularWeight: 418.506623

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)NC(=O)N

InChI

InChI=1S/C16H23FN4O4S2/c1-26-11-6-13(19-16(18)23)15(22)20-7-9-21(10-8-20)27(24,25)14-5-3-2-4-12(14)17/h2-5,13H,6-11H2,1H3,(H3,18,19,23)/t13-/m0/s1