ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethanamine Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(1H-indol-3-yl)-2-(2-thienyl)ethanamine; oxalic acid CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine; oxalic acid IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine; oxalic acid Traditional Name: (4-imidazol-1-ylbenzyl)-[2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amine; oxalic acid Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNCC3=CC=C(C=C3)N4C=CN=C4)C5=CC=CS5.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(CNCC3=CC=C(C=C3)N4C=CN=C4)C5=CC=CS5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H22N4S.C2H2O4/c1-2-5-23-20(4-1)21(16-27-23)22(24-6-3-13-29-24)15-26-14-18-7-9-19(10-8-18)28-12-11-25-17-28;3-1(4)2(5)6/h1-13,16-17,22,26-27H,14-15H2;(H,3,4)(H,5,6)