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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(4-fluorobenzoyl)isonipecotamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O2S/c1-2-19-7-13-23(14-8-19)32(28-30-24-5-3-4-6-25(24)35-28)27(34)21-15-17-31(18-16-21)26(33)20-9-11-22(29)12-10-20/h3-14,21H,2,15-18H2,1H3