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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-2-30-22(29)18-10-13-26(14-11-18)21(28)19-9-6-12-27(16-19)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