2-(4-fluoranyl-3-methyl-phenyl)-N-(phenylmethyl)-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide

Systemtic Name: 2-(4-fluoranyl-3-methyl-phenyl)-N-(phenylmethyl)-5-thiomorpholin-4-ylcarbonyl-piperidine-1-carboxamide Openeye Name: N-benzyl-2-(4-fluoro-3-methyl-phenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide CAS Name: 2-(4-fluoro-3-methylphenyl)-5-[oxo(thiomorpholin-4-yl)methyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-2-(4-fluoro-3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Traditional Name: N-benzyl-2-(4-fluoro-3-methyl-phenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide Formula: C25H30FN3O2S MolecularWeight: 455.588003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)NCC3=CC=CC=C3)C(=O)N4CCSCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCC(CN2C(=O)NCC3=CC=CC=C3)C(=O)N4CCSCC4)F

InChI

InChI=1S/C25H30FN3O2S/c1-18-15-20(7-9-22(18)26)23-10-8-21(24(30)28-11-13-32-14-12-28)17-29(23)25(31)27-16-19-5-3-2-4-6-19/h2-7,9,15,21,23H,8,10-14,16-17H2,1H3,(H,27,31)