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

Systemtic Name: ethanedioic acid; 2-methoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine Openeye Name: 2-methoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-6-amine; oxalic acid CAS Name: 2-methoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid IUPAC Name: 2-methoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid Traditional Name: (2-methoxy-1,3-benzothiazol-6-yl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalic acid Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N4OS.C2H2O4/c1-18(24-20-8-9-21-22(16-20)29-23(25-21)28-2)17-27-14-12-26(13-15-27)11-10-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-9,16,18,24H,10-15,17H2,1-2H3;(H,3,4)(H,5,6)