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

Systemtic Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]hexanamide; ethanedioic acid Openeye Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]hexanamide; oxalic acid CAS Name: N-[4-[[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]hexanamide; oxalic acid IUPAC Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]hexanamide; oxalic acid Traditional Name: N-[4-[[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]hexanamide; oxalic acid Formula: C25H28ClN3O5S MolecularWeight: 518.02492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=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/C23H26ClN3OS.C2H2O4/c1-2-3-4-5-23(28)26-20-10-12-21(13-11-20)29-22(16-27-15-14-25-17-27)18-6-8-19(24)9-7-18;3-1(4)2(5)6/h6-15,17,22H,2-5,16H2,1H3,(H,26,28);(H,3,4)(H,5,6)