2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-[4-(methylthio)benzyl]piperazino]methyl]phenol; oxalic acid Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O3S.C2H2O4/c1-25-19-12-17(13-20(26-2)21(19)24)15-23-10-8-22(9-11-23)14-16-4-6-18(27-3)7-5-16;3-1(4)2(5)6/h4-7,12-13,24H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)