(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(2-thienylmethyl)piperidine-3-carboxamide CAS Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(thiophen-2-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (2S,3R)-1-butyl-6-keto-2-(2-methoxyphenyl)-N-(2-thenyl)nipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)NCC2=CC=CS2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)NCC2=CC=CS2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N2O3S/c1-3-4-13-24-20(25)12-11-18(22(26)23-15-16-8-7-14-28-16)21(24)17-9-5-6-10-19(17)27-2/h5-10,14,18,21H,3-4,11-13,15H2,1-2H3,(H,23,26)/t18-,21-/m1/s1