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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H21BrFN3O2S/c1-2-28-15-6-8-18-19(11-15)29-21(25-18)26-9-3-4-13(12-26)20(27)24-17-7-5-14(22)10-16(17)23/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,24,27)