2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C16H21ClFN3O2S MolecularWeight: 373.873243

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCCN1CC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CSCCNC(=O)CC1C(=O)NCCN1CC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C16H21ClFN3O2S/c1-24-7-5-19-15(22)9-14-16(23)20-4-6-21(14)10-11-2-3-12(17)13(18)8-11/h2-3,8,14H,4-7,9-10H2,1H3,(H,19,22)(H,20,23)