N-[(4-fluorophenyl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C18H20FN3O2S2 MolecularWeight: 393.498703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20FN3O2S2/c19-16-8-6-15(7-9-16)14-20-18(25)21-10-12-22(13-11-21)26(23,24)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,25)