ethyl 2-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6-piperidinopyrimidin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C20H24N4O3S/c1-2-27-20(26)15-8-4-5-9-16(15)23-18(25)13-28-19-12-17(21-14-22-19)24-10-6-3-7-11-24/h4-5,8-9,12,14H,2-3,6-7,10-11,13H2,1H3,(H,23,25)