ethanedioic acid; [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-[4-(methylthio)benzyl]piperazino]-(2-thienyl)methanone; oxalic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2OS2.C2H2O4/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)