4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-sulfamoylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide Formula: C18H20ClFN4O2S2 MolecularWeight: 442.958403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H20ClFN4O2S2/c19-17-11-14(20)2-1-13(17)12-23-7-9-24(10-8-23)18(27)22-15-3-5-16(6-4-15)28(21,25)26/h1-6,11H,7-10,12H2,(H,22,27)(H2,21,25,26)