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

Systemtic Name: ethanedioic acid; N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide Openeye Name: N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid CAS Name: N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid IUPAC Name: N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid Traditional Name: N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-methyl-2-(4-phenethylpiperazino)ethyl]propionamide; oxalic acid Formula: C30H38N4O10S MolecularWeight: 646.70852

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H34N4O2S.2C2H2O4/c1-4-25(31)30(22-10-11-23-24(18-22)33-26(27-23)32-3)20(2)19-29-16-14-28(15-17-29)13-12-21-8-6-5-7-9-21;2*3-1(4)2(5)6/h5-11,18,20H,4,12-17,19H2,1-3H3;2*(H,3,4)(H,5,6)