N-(3-chloranyl-4-fluoranyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C12H15ClFN3O2S2 MolecularWeight: 351.847803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H15ClFN3O2S2/c1-21(18,19)17-6-4-16(5-7-17)12(20)15-9-2-3-11(14)10(13)8-9/h2-3,8H,4-7H2,1H3,(H,15,20)