4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide; ethanedioic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide; ethanedioic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide; oxalic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: N-(3-ethoxypropyl)-4-piperonyl-piperazine-1-carbothioamide; oxalic acid Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOCCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O3S.C2H2O4/c1-2-22-11-3-6-19-18(25)21-9-7-20(8-10-21)13-15-4-5-16-17(12-15)24-14-23-16;3-1(4)2(5)6/h4-5,12H,2-3,6-11,13-14H2,1H3,(H,19,25);(H,3,4)(H,5,6)