N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorobenzoyl)isonipecotamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

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