N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]decanamide; ethanedioic acid

Systemtic Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]decanamide; ethanedioic acid Openeye Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]decanamide; oxalic acid CAS Name: N-[4-[[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]decanamide; oxalic acid IUPAC Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]decanamide; oxalic acid Traditional Name: N-[4-[[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]capramide; oxalic acid Formula: C29H36ClN3O5S MolecularWeight: 574.13124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34ClN3OS.C2H2O4/c1-2-3-4-5-6-7-8-9-27(32)30-24-14-16-25(17-15-24)33-26(20-31-19-18-29-21-31)22-10-12-23(28)13-11-22;3-1(4)2(5)6/h10-19,21,26H,2-9,20H2,1H3,(H,30,32);(H,3,4)(H,5,6)