tert-butyl 4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S2/c1-20(2,3)27-19(26)24-11-9-15(10-12-24)16(25)21-17-22-23-18(29-17)28-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,22,25)