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

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[(4S)-thiochroman-4-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[(4S)-thiochroman-4-yl]nipecotamide Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H23ClN2O2S/c23-17-9-7-15(8-10-17)22(27)25-12-3-4-16(14-25)21(26)24-19-11-13-28-20-6-2-1-5-18(19)20/h1-2,5-10,16,19H,3-4,11-14H2,(H,24,26)/t16-,19-/m0/s1