1-(5-cyanopyridin-2-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-thiochroman-4-yl-isonipecotamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H22N4OS/c22-13-15-5-6-20(23-14-15)25-10-7-16(8-11-25)21(26)24-18-9-12-27-19-4-2-1-3-17(18)19/h1-6,14,16,18H,7-12H2,(H,24,26)