N-(5-bromanylpyridin-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-2-27-15-4-5-16-17(11-15)28-20(23-16)25-9-7-13(8-10-25)19(26)24-18-6-3-14(21)12-22-18/h3-6,11-13H,2,7-10H2,1H3,(H,22,24,26)