4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; ethanedioic acid

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; ethanedioic acid Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-phenyl-thiazole; oxalic acid CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-phenylthiazole; oxalic acid IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole; oxalic acid Traditional Name: oxalic acid; 2-phenyl-4-[(4-piperonylpiperazino)methyl]thiazole Formula: C26H27N3O10S MolecularWeight: 573.57168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CSC(=N4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CSC(=N4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23N3O2S.2C2H2O4/c1-2-4-18(5-3-1)22-23-19(15-28-22)14-25-10-8-24(9-11-25)13-17-6-7-20-21(12-17)27-16-26-20;2*3-1(4)2(5)6/h1-7,12,15H,8-11,13-14,16H2;2*(H,3,4)(H,5,6)