N-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C20H22FN3O2S2 MolecularWeight: 419.535983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S2/c21-19-8-6-18(7-9-19)16-22-20(27)23-11-13-24(14-12-23)28(25,26)15-10-17-4-2-1-3-5-17/h1-10,15H,11-14,16H2,(H,22,27)/b15-10+