2-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-thiomorpholin-3-one

Systemtic Name: 2-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl-thiomorpholin-3-one Openeye Name: 2-[(2-fluorophenyl)methyl]-5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]thiomorpholin-3-one CAS Name: 2-[(2-fluorophenyl)methyl]-5-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3-thiomorpholinone IUPAC Name: 2-[(2-fluorophenyl)methyl]-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]thiomorpholin-3-one Traditional Name: 2-(2-fluorobenzyl)-5-[4-(2-pyridylmethyl)piperazine-1-carbonyl]thiomorpholin-3-one Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4O2S/c23-18-7-2-1-5-16(18)13-20-21(28)25-19(15-30-20)22(29)27-11-9-26(10-12-27)14-17-6-3-4-8-24-17/h1-8,19-20H,9-15H2,(H,25,28)