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

Systemtic Name: 2-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; ethanedioic acid; hydrate Openeye Name: 2-butoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-6-amine; oxalic acid; hydrate CAS Name: 2-butoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid; hydrate IUPAC Name: 2-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid; hydrate Traditional Name: (2-butoxy-1,3-benzothiazol-6-yl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalic acid; hydrate Formula: C28H40N4O6S MolecularWeight: 560.7054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCCCOC1=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/C26H36N4OS.C2H2O4.H2O/c1-3-4-18-31-26-28-24-11-10-23(19-25(24)32-26)27-21(2)20-30-16-14-29(15-17-30)13-12-22-8-6-5-7-9-22;3-1(4)2(5)6;/h5-11,19,21,27H,3-4,12-18,20H2,1-2H3;(H,3,4)(H,5,6);1H2