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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thiomorpholin-3-one Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]thiomorpholin-3-one CAS Name: 2-[(4-fluorophenyl)methyl]-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-thiomorpholinone IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-[(4-fluorophenyl)methyl]thiomorpholin-3-one Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(4-fluorobenzyl)thiomorpholin-3-one Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2S/c24-19-8-6-17(7-9-19)14-21-22(28)25-20(16-30-21)23(29)27-12-10-26(11-13-27)15-18-4-2-1-3-5-18/h1-9,20-21H,10-16H2,(H,25,28)