tert-butyl 4-[3-(dibenzofuran-2-ylmethylsulfanyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(dibenzofuran-2-ylmethylsulfanyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(dibenzofuran-2-ylmethylsulfanyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-dibenzofuranylmethylthio)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(dibenzofuran-2-ylmethylsulfanyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(dibenzofuran-2-ylmethylthio)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCSCC2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCSCC2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C25H30N2O4S/c1-25(2,3)31-24(29)27-13-11-26(12-14-27)23(28)10-15-32-17-18-8-9-22-20(16-18)19-6-4-5-7-21(19)30-22/h4-9,16H,10-15,17H2,1-3H3