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

Systemtic Name: ethyl 4-[2-[1-[(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(2-ethoxy-1-methyl-2-oxo-ethyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[[(1-ethoxy-1-oxopropan-2-yl)amino]-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(2-ethoxy-2-keto-1-methyl-ethyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H37N5O5S MolecularWeight: 519.65678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N5O5S/c1-5-34-23(32)18(4)27-24(36)29-11-9-19(10-12-29)21-20(8-7-17(3)26-21)22(31)28-13-15-30(16-14-28)25(33)35-6-2/h7-8,18-19H,5-6,9-16H2,1-4H3,(H,27,36)