N-(4-bromanyl-2-fluoranyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21BrFN3O2S MolecularWeight: 478.377743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrFN3O2S/c1-2-28-15-4-6-18-19(12-15)29-21(25-18)26-9-7-13(8-10-26)20(27)24-17-5-3-14(22)11-16(17)23/h3-6,11-13H,2,7-10H2,1H3,(H,24,27)