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

Systemtic Name: 1-(3-fluorophenyl)carbonyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(3-fluorophenyl)-oxomethyl]-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3-fluorobenzoyl)isonipecotamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN4O2S/c23-18-8-4-7-17(14-18)21(29)27-11-9-16(10-12-27)20(28)24-22-26-25-19(30-22)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,24,26,28)