ethanedioic acid; N-[(4-methylphenyl)methyl]-2-[2-(thiophen-2-ylmethylamino)ethanoylamino]benzamide

Systemtic Name: ethanedioic acid; N-[(4-methylphenyl)methyl]-2-[2-(thiophen-2-ylmethylamino)ethanoylamino]benzamide Openeye Name: oxalic acid; N-(p-tolylmethyl)-2-[[2-(2-thienylmethylamino)acetyl]amino]benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[1-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide; oxalic acid IUPAC Name: N-[(4-methylphenyl)methyl]-2-[[2-(thiophen-2-ylmethylamino)acetyl]amino]benzamide; oxalic acid Traditional Name: N-(4-methylbenzyl)-2-[[2-(2-thenylamino)acetyl]amino]benzamide; oxalic acid Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23N3O2S.C2H2O4/c1-16-8-10-17(11-9-16)13-24-22(27)19-6-2-3-7-20(19)25-21(26)15-23-14-18-5-4-12-28-18;3-1(4)2(5)6/h2-12,23H,13-15H2,1H3,(H,24,27)(H,25,26);(H,3,4)(H,5,6)