N-(4-bromanyl-2-fluoranyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C18H17BrFN5OS MolecularWeight: 450.327883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C18H17BrFN5OS/c19-13-5-6-15(14(20)10-13)21-16(26)12-4-3-9-25(11-12)18-23-22-17(27-18)24-7-1-2-8-24/h1-2,5-8,10,12H,3-4,9,11H2,(H,21,26)