2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazino]acetamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C22H22FN3O2S/c23-18-6-7-19-17(12-18)13-20(29-19)22(28)26-10-8-25(9-11-26)15-21(27)24-14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27)