N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperidine-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)isonipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-20(23-13-15-4-3-9-22-12-15)16-7-10-24(11-8-16)21(26)18-14-27-19-6-2-1-5-17(18)19/h3-4,9,12,14,16H,1-2,5-8,10-11,13H2,(H,23,25)