N-(3-fluorophenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-fluorophenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-fluorophenyl)piperazine-1-carbothioamide Formula: C17H18FN3O2S2 MolecularWeight: 379.472123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18FN3O2S2/c18-14-5-4-6-15(13-14)19-17(24)20-9-11-21(12-10-20)25(22,23)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,24)