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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

InChI

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