1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,4-difluorobenzoyl)-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-difluorobenzoyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2,4-difluorobenzoyl)-N-thiochroman-4-yl-isonipecotamide Formula: C22H22F2N2O2S MolecularWeight: 416.484086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=CC=CC=C23)C(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H22F2N2O2S/c23-15-5-6-16(18(24)13-15)22(28)26-10-7-14(8-11-26)21(27)25-19-9-12-29-20-4-2-1-3-17(19)20/h1-6,13-14,19H,7-12H2,(H,25,27)