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

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2OS.C2H2O4/c1-2-15-5-7-16(8-6-15)14-19-9-11-20(12-10-19)18(21)17-4-3-13-22-17;3-1(4)2(5)6/h3-8,13H,2,9-12,14H2,1H3;(H,3,4)(H,5,6)