1-(4-bromophenyl)carbonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-thiochroman-4-yl-isonipecotamide Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O2S/c23-17-7-5-16(6-8-17)22(27)25-12-9-15(10-13-25)21(26)24-19-11-14-28-20-4-2-1-3-18(19)20/h1-8,15,19H,9-14H2,(H,24,26)