N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-fluorobenzoyl)isonipecotamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2S/c1-2-26(22-24-18-5-3-4-6-19(18)29-22)21(28)16-11-13-25(14-12-16)20(27)15-7-9-17(23)10-8-15/h3-10,16H,2,11-14H2,1H3