1-(4-fluorophenyl)carbonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C22H21FN4O2S2 MolecularWeight: 456.556143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2S2/c23-18-8-6-17(7-9-18)20(29)27-12-10-16(11-13-27)19(28)24-21-25-26-22(31-21)30-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,24,25,28)