1-(4-methylsulfanylphenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazino]butane-1,4-dione Formula: C20H28N2O3S MolecularWeight: 376.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CC3CCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C[C@H]3CCCO3

InChI

InChI=1S/C20H28N2O3S/c1-26-18-6-4-16(5-7-18)19(23)8-9-20(24)22-12-10-21(11-13-22)15-17-3-2-14-25-17/h4-7,17H,2-3,8-15H2,1H3/t17-/m1/s1