N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[3-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[3-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-[3-[(methylthio)methyl]benzoyl]isonipecotamide Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC)F

InChI

InChI=1S/C23H27FN2O2S/c1-16-6-7-17(13-21(16)24)14-25-22(27)19-8-10-26(11-9-19)23(28)20-5-3-4-18(12-20)15-29-2/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,25,27)