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

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]isonipecotamide Formula: C21H20FN3O2S2 MolecularWeight: 429.530803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2S2/c1-28-21-24-17-7-6-16(12-18(17)29-21)23-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26)