N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-4-(2-thienyl)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC(=O)C2=CC=CS2)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CCC(=O)C2=CC=CS2)N3CCCCC3

InChI

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