1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C27H28ClFN2OS MolecularWeight: 483.040423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C27H28ClFN2OS/c1-19-16-20(18-33-22-6-3-2-4-7-22)10-11-26(19)30-27(32)21-12-14-31(15-13-21)17-23-24(28)8-5-9-25(23)29/h2-11,16,21H,12-15,17-18H2,1H3,(H,30,32)