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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(5-cyanopyridin-2-yl)-N-(4-ethylphenyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(5-cyano-2-pyridyl)-N-(4-ethylphenyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(5-cyano-2-pyridinyl)-N-(4-ethylphenyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(5-cyanopyridin-2-yl)-N-(4-ethylphenyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(5-cyano-2-pyridyl)-N-(4-ethylphenyl)isonipecotamide Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C5=NC=C(C=C5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C27H25N5OS/c1-2-19-7-10-22(11-8-19)32(27-30-23-5-3-4-6-24(23)34-27)26(33)21-13-15-31(16-14-21)25-12-9-20(17-28)18-29-25/h3-12,18,21H,2,13-16H2,1H3