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

Systemtic Name: 4-bromanyl-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-[4-(methylthio)benzyl]piperazino]methyl]phenol; oxalic acid Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23BrN2OS.C2H2O4/c1-24-18-5-2-15(3-6-18)13-21-8-10-22(11-9-21)14-16-12-17(20)4-7-19(16)23;3-1(4)2(5)6/h2-7,12,23H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)