1-(5-cyanopyridin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

InChI

InChI=1S/C21H21N5OS/c1-13-9-14(2)19-17(10-13)28-21(24-19)25-20(27)16-5-7-26(8-6-16)18-4-3-15(11-22)12-23-18/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,24,25,27)