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

Systemtic Name: ethanedioate; 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; hydrate Openeye Name: 2-ethoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-1,3-benzothiazol-6-amine; oxalate; hydrate CAS Name: 2-ethoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalate; hydrate IUPAC Name: 2-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalate; hydrate Traditional Name: (2-ethoxy-1,3-benzothiazol-6-yl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalate; hydrate Formula: C56H66N8O19S2-8 MolecularWeight: 1219.29544

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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.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-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

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

InChI

InChI=1S/2C24H32N4OS.4C2H2O4.H2O/c2*1-3-29-24-26-22-10-9-21(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;4*3-1(4)2(5)6;/h2*4-10,17,19,25H,3,11-16,18H2,1-2H3;4*(H,3,4)(H,5,6);1H2/p-8