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

Systemtic Name: ethanedioic acid; N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide Openeye Name: N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid CAS Name: N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid IUPAC Name: N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid Traditional Name: N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazino)ethyl]propionamide; oxalic acid Formula: C31H40N4O10S MolecularWeight: 660.7351

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H36N4O2S.2C2H2O4/c1-4-26(32)31(23-11-12-24-25(19-23)34-27(28-24)33-5-2)21(3)20-30-17-15-29(16-18-30)14-13-22-9-7-6-8-10-22;2*3-1(4)2(5)6/h6-12,19,21H,4-5,13-18,20H2,1-3H3;2*(H,3,4)(H,5,6)