(3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(benzothiophen-5-ylmethyl)-6-oxo-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxo-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(benzothiophen-5-ylmethyl)-6-keto-1-(2-pyridylmethyl)nipecotamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)SC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(C=C2)SC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H21N3O2S/c25-20-7-5-17(13-24(20)14-18-3-1-2-9-22-18)21(26)23-12-15-4-6-19-16(11-15)8-10-27-19/h1-4,6,8-11,17H,5,7,12-14H2,(H,23,26)/t17-/m0/s1