methyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]sulfanylphenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl]thio]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanylphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl]thio]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C23H24Cl2N4O2S MolecularWeight: 491.43326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H24Cl2N4O2S/c1-31-23(30)29-12-10-28(11-13-29)18-3-5-19(6-4-18)32-22(15-27-9-8-26-16-27)20-7-2-17(24)14-21(20)25/h2-9,14,16,22H,10-13,15H2,1H3