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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

InChI

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