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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21BrFN3OS MolecularWeight: 462.378343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F)C

InChI

InChI=1S/C21H21BrFN3OS/c1-12-9-13(2)19-18(10-12)28-21(25-19)26-7-5-14(6-8-26)20(27)24-17-4-3-15(22)11-16(17)23/h3-4,9-11,14H,5-8H2,1-2H3,(H,24,27)