ethanedioic acid; 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: ethanedioic acid; 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine Openeye Name: 2-ethoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-6-amine; oxalic acid CAS Name: 2-ethoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid IUPAC Name: 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid Traditional Name: (2-ethoxy-1,3-benzothiazol-6-yl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalic acid Formula: C28H36N4O9S MolecularWeight: 604.67184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N4OS.2C2H2O4/c1-3-29-24-26-22-10-9-21(17-23(22)30-24)25-19(2)18-28-15-13-27(14-16-28)12-11-20-7-5-4-6-8-20;2*3-1(4)2(5)6/h4-10,17,19,25H,3,11-16,18H2,1-2H3;2*(H,3,4)(H,5,6)