ethanedioic acid; N-(3-ethoxypropyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; N-(3-ethoxypropyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(3-ethoxypropyl)-4-(2-furylmethyl)piperazine-1-carbothioamide; oxalic acid CAS Name: N-(3-ethoxypropyl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: N-(3-ethoxypropyl)-4-(furan-2-ylmethyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: N-(3-ethoxypropyl)-4-(2-furfuryl)piperazine-1-carbothioamide; oxalic acid Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOCCCNC(=S)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H25N3O2S.C2H2O4/c1-2-19-11-4-6-16-15(21)18-9-7-17(8-10-18)13-14-5-3-12-20-14;3-1(4)2(5)6/h3,5,12H,2,4,6-11,13H2,1H3,(H,16,21);(H,3,4)(H,5,6)