(2R,3S)-1-butyl-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (2R,3S)-1-butyl-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[(4R)-thiochroman-4-yl]piperidine-3-carboxamide CAS Name: (2R,3S)-1-butyl-N-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide IUPAC Name: (2R,3S)-1-butyl-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)-N-[(4R)-thiochroman-4-yl]nipecotamide Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)NC2CCSC3=CC=CC=C23)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)N[C@@H]2CCSC3=CC=CC=C23)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N2O3S/c1-3-4-16-28-24(29)14-13-21(25(28)18-9-11-19(31-2)12-10-18)26(30)27-22-15-17-32-23-8-6-5-7-20(22)23/h5-12,21-22,25H,3-4,13-17H2,1-2H3,(H,27,30)/t21-,22+,25-/m0/s1