ethyl 4-[[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H32N6O4S MolecularWeight: 464.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C21H32N6O4S/c1-3-31-20(30)27-12-5-16(6-13-27)25-18(29)21(7-10-22-11-8-21)26-17(28)14-32-19-23-9-4-15(2)24-19/h4,9,16,22H,3,5-8,10-14H2,1-2H3,(H,25,29)(H,26,28)