ethanedioic acid; (4-propan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; (4-propan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone Openeye Name: (4-isopropylpiperazin-1-yl)-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; (4-propan-2-yl-1-piperazinyl)-thiophen-2-ylmethanone IUPAC Name: oxalic acid; (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone Traditional Name: (4-isopropylpiperazino)-(2-thienyl)methanone; oxalic acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2OS.C2H2O4/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11;3-1(4)2(5)6/h3-4,9-10H,5-8H2,1-2H3;(H,3,4)(H,5,6)