N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: N-(benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxo-piperidine-3-carboxamide CAS Name: N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: N-(1-benzothiophen-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide Traditional Name: N-(benzothiophen-5-ylmethyl)-1-(3-fluorobenzyl)-6-keto-nipecotamide Formula: C22H21FN2O2S MolecularWeight: 396.477743

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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=C4)F

Isomeric SMILES

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)SC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN2O2S/c23-19-3-1-2-16(11-19)13-25-14-18(5-7-21(25)26)22(27)24-12-15-4-6-20-17(10-15)8-9-28-20/h1-4,6,8-11,18H,5,7,12-14H2,(H,24,27)