ethanedioic acid; 5-phenyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: ethanedioic acid; 5-phenyl-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(benzylamino)acetyl]amino]-5-phenyl-thiophene-3-carboxamide; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(benzylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide; oxalic acid Traditional Name: 2-[[2-(benzylamino)acetyl]amino]-5-phenyl-thiophene-3-carboxamide; oxalic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19N3O2S.C2H2O4/c21-19(25)16-11-17(15-9-5-2-6-10-15)26-20(16)23-18(24)13-22-12-14-7-3-1-4-8-14;3-1(4)2(5)6/h1-11,22H,12-13H2,(H2,21,25)(H,23,24);(H,3,4)(H,5,6)