tert-butyl 4-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(8-chloro-2-dibenzofuranyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(8-chlorodibenzofuran-2-yl)methylthio]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27ClN2O4S MolecularWeight: 475.00018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O4S/c1-24(2,3)31-23(29)27-10-8-26(9-11-27)22(28)15-32-14-16-4-6-20-18(12-16)19-13-17(25)5-7-21(19)30-20/h4-7,12-13H,8-11,14-15H2,1-3H3