N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isonipecotamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H25N3O2S/c1-15(27)26-11-9-17(10-12-26)22(28)25-23-20(14-24)19-8-7-18(13-21(19)29-23)16-5-3-2-4-6-16/h2-6,17-18H,7-13H2,1H3,(H,25,28)