ethyl 4-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H36N4O6S MolecularWeight: 508.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H36N4O6S/c1-4-34-23(31)28-13-7-17(8-14-28)26-22(30)24(9-11-25-12-10-24)27-21(29)16-35-18-5-6-19(32-2)20(15-18)33-3/h5-6,15,17,25H,4,7-14,16H2,1-3H3,(H,26,30)(H,27,29)