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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propyl-piperazine-1-carbothioamide; ethanedioic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propyl-piperazine-1-carbothioamide; oxalic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propyl-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propylpiperazine-1-carbothioamide; oxalic acid Traditional Name: oxalic acid; 4-piperonyl-N-propyl-piperazine-1-carbothioamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S.C2H2O4/c1-2-5-17-16(22)19-8-6-18(7-9-19)11-13-3-4-14-15(10-13)21-12-20-14;3-1(4)2(5)6/h3-4,10H,2,5-9,11-12H2,1H3,(H,17,22);(H,3,4)(H,5,6)