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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-mesyl-piperazine-1-carbothioamide Formula: C13H18FN3O2S2 MolecularWeight: 331.429323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FN3O2S2/c1-21(18,19)17-8-6-16(7-9-17)13(20)15-10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3,(H,15,20)