ethanedioic acid; 4-ethyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; 4-ethyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-ethyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide; oxalic acid CAS Name: 4-ethyl-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-ethyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: 4-ethyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide; oxalic acid Formula: C14H25N3O5S MolecularWeight: 347.4304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NCC2CCCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=S)NCC2CCCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H23N3OS.C2H2O4/c1-2-14-5-7-15(8-6-14)12(17)13-10-11-4-3-9-16-11;3-1(4)2(5)6/h11H,2-10H2,1H3,(H,13,17);(H,3,4)(H,5,6)