butyl 4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCCCC2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-2-3-13-26-20(25)16-7-9-17(10-8-16)21-18(23)14-27-15-19(24)22-11-5-4-6-12-22/h7-10H,2-6,11-15H2,1H3,(H,21,23)