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

Systemtic Name: ethanedioic acid; N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethanamine Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethanamine; oxalic acid CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethanamine; oxalic acid IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine; oxalic acid Traditional Name: (4-imidazol-1-ylbenzyl)-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amine; oxalic acid Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(CNCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N5S.C2H2O4/c1-24-10-12-25(13-11-24)20(21-3-2-14-27-21)16-23-15-18-4-6-19(7-5-18)26-9-8-22-17-26;3-1(4)2(5)6/h2-9,14,17,20,23H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)