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

Systemtic Name: ethyl 4-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-3-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O3S/c1-2-30-22(29)26-13-11-25(12-14-26)20(28)18-9-6-10-27(16-18)21-23-19(24-31-21)15-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3