N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[4-(3-pyridinylmethylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-1-(2-thenoyl)nipecotamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c27-22(18-5-2-12-26(15-18)23(28)21-6-3-13-29-21)25-19-7-9-20(10-8-19)30-16-17-4-1-11-24-14-17/h1,3-4,6-11,13-14,18H,2,5,12,15-16H2,(H,25,27)