N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[2-(2-methylphenyl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-[2-(2-methylphenyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-[2-(o-tolylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-[(2-methylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-[2-(o-tolylthio)acetyl]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)CSC3=CC=CC=C3C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CSC3=CC=CC=C3C)F

InChI

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