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

Systemtic Name: ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H26N6O3S/c1-2-28-19(27)25-13-11-22(12-14-25)16(26)15-5-9-24(10-6-15)18-21-20-17(29-18)23-7-3-4-8-23/h3-4,7-8,15H,2,5-6,9-14H2,1H3