(2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(3-fluoro-4-methoxy-benzyl)piperazino]methanone Formula: C20H22ClFN2O2S MolecularWeight: 408.917283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl)F

InChI

InChI=1S/C20H22ClFN2O2S/c1-26-19-6-3-14(11-18(19)22)13-23-7-9-24(10-8-23)20(25)16-12-15(27-2)4-5-17(16)21/h3-6,11-12H,7-10,13H2,1-2H3