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

Systemtic Name: tert-butyl 4-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN5O3S/c1-20(2,3)29-19(28)26-10-8-15(9-11-26)25(4)18(27)22-17-24-23-16(30-17)13-6-5-7-14(21)12-13/h5-7,12,15H,8-11H2,1-4H3,(H,22,24,27)