1-(4-bromophenyl)carbonyl-N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[(4S)-6-chlorothiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[(4S)-6-chlorothiochroman-4-yl]isonipecotamide Formula: C22H22BrClN2O2S MolecularWeight: 493.84428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)C=C(C=C2)Cl

InChI

InChI=1S/C22H22BrClN2O2S/c23-16-3-1-15(2-4-16)22(28)26-10-7-14(8-11-26)21(27)25-19-9-12-29-20-6-5-17(24)13-18(19)20/h1-6,13-14,19H,7-12H2,(H,25,27)/t19-/m0/s1