ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-(2-furylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2OS.C2H2O4/c1-21-17-6-4-15(5-7-17)13-18-8-10-19(11-9-18)14-16-3-2-12-20-16;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)