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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

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