ethyl 4-[2-[1-[(4-ethoxy-4-oxidanylidene-butan-2-yl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(4-ethoxy-4-oxidanylidene-butan-2-yl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(3-ethoxy-1-methyl-3-oxo-propyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[[(4-ethoxy-4-oxobutan-2-yl)amino]-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(4-ethoxy-4-oxobutan-2-yl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(3-ethoxy-3-keto-1-methyl-propyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H39N5O5S MolecularWeight: 533.68336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C26H39N5O5S/c1-5-35-22(32)17-19(4)28-25(37)30-11-9-20(10-12-30)23-21(8-7-18(3)27-23)24(33)29-13-15-31(16-14-29)26(34)36-6-2/h7-8,19-20H,5-6,9-17H2,1-4H3,(H,28,37)