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

Systemtic Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]propanamide; ethanedioic acid Openeye Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]propanamide; oxalic acid CAS Name: N-[4-[[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]propanamide; oxalic acid IUPAC Name: N-[4-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]propanamide; oxalic acid Traditional Name: N-[4-[[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]propionamide; oxalic acid Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C20H20ClN3OS.C2H2O4/c1-2-20(25)23-17-7-9-18(10-8-17)26-19(13-24-12-11-22-14-24)15-3-5-16(21)6-4-15;3-1(4)2(5)6/h3-12,14,19H,2,13H2,1H3,(H,23,25);(H,3,4)(H,5,6)