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

Systemtic Name: ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine; hydrate Openeye Name: 2-isopropoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-6-amine; oxalic acid; hydrate CAS Name: oxalic acid; N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine; hydrate IUPAC Name: oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine; hydrate Traditional Name: (2-isopropoxy-1,3-benzothiazol-6-yl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalic acid; hydrate Formula: C27H38N4O6S MolecularWeight: 546.67882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(C)OC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C25H34N4OS.C2H2O4.H2O/c1-19(2)30-25-27-23-10-9-22(17-24(23)31-25)26-20(3)18-29-15-13-28(14-16-29)12-11-21-7-5-4-6-8-21;3-1(4)2(5)6;/h4-10,17,19-20,26H,11-16,18H2,1-3H3;(H,3,4)(H,5,6);1H2