ethyl 4-[6-methyl-2-[1-[2-(2-propan-2-ylsulfanylethanoylamino)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-[2-(2-propan-2-ylsulfanylethanoylamino)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[2-[(2-isopropylsulfanylacetyl)amino]acetyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[1-oxo-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]ethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-[2-[(2-propan-2-ylsulfanylacetyl)amino]acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-[[2-(isopropylthio)acetyl]amino]acetyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H39N5O5S MolecularWeight: 533.68336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CNC(=O)CSC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CNC(=O)CSC(C)C

InChI

InChI=1S/C26H39N5O5S/c1-5-36-26(35)31-14-12-30(13-15-31)25(34)21-7-6-19(4)28-24(21)20-8-10-29(11-9-20)23(33)16-27-22(32)17-37-18(2)3/h6-7,18,20H,5,8-17H2,1-4H3,(H,27,32)