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

Systemtic Name: ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide Openeye Name: N-(2-isopropoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid CAS Name: oxalic acid; N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide IUPAC Name: oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-N-(2-propan-2-yloxy-1,3-benzothiazol-6-yl)propanamide Traditional Name: N-(2-isopropoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazino)ethyl]propionamide; oxalic acid Formula: C32H42N4O10S MolecularWeight: 674.76168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC(C)C)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC(C)C)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H38N4O2S.2C2H2O4/c1-5-27(33)32(24-11-12-25-26(19-24)35-28(29-25)34-21(2)3)22(4)20-31-17-15-30(16-18-31)14-13-23-9-7-6-8-10-23;2*3-1(4)2(5)6/h6-12,19,21-22H,5,13-18,20H2,1-4H3;2*(H,3,4)(H,5,6)