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

Systemtic Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(benzothiophen-5-ylmethyl)-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-benzothiophen-5-ylmethyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(benzothiophen-5-ylmethyl)-6-keto-1-[2-(2-pyridyl)ethyl]nipecotamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)SC=C3)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(C=C2)SC=C3)CCC4=CC=CC=N4

InChI

InChI=1S/C22H23N3O2S/c26-21-7-5-18(15-25(21)11-8-19-3-1-2-10-23-19)22(27)24-14-16-4-6-20-17(13-16)9-12-28-20/h1-4,6,9-10,12-13,18H,5,7-8,11,14-15H2,(H,24,27)/t18-/m0/s1