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

Systemtic Name: ethyl 4-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)isonipecotoyl]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)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

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