N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C23H24FN3O2S MolecularWeight: 425.518963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H24FN3O2S/c24-21-9-7-17(8-10-21)23(29)27-12-3-6-19(15-27)22(28)26-11-13-30-16-20-5-2-1-4-18(20)14-25/h1-2,4-5,7-10,19H,3,6,11-13,15-16H2,(H,26,28)