N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H23FN4O4S3 MolecularWeight: 486.603723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H23FN4O4S3/c1-22(2)30(25,26)18-8-4-6-16(14-18)21-19(29)23-9-11-24(12-10-23)31(27,28)17-7-3-5-15(20)13-17/h3-8,13-14H,9-12H2,1-2H3,(H,21,29)