ethyl 1-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)isonipecotoyl]isonipecotic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-2-30-22(29)19-10-12-26(13-11-19)21(28)18-8-14-27(15-9-18)23-24-20(25-31-23)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3