4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide; ethanedioic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide; ethanedioic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-isobutyl-piperazine-1-carbothioamide; oxalic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: N-isobutyl-4-piperonyl-piperazine-1-carbothioamide; oxalic acid Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S.C2H2O4/c1-13(2)10-18-17(23)20-7-5-19(6-8-20)11-14-3-4-15-16(9-14)22-12-21-15;3-1(4)2(5)6/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,23);(H,3,4)(H,5,6)