methyl 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylphenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylphenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C25H29ClN4O2S/c1-32-25(31)30-16-14-29(15-17-30)22-7-10-23(11-8-22)33-24(18-28-13-12-27-19-28)9-4-20-2-5-21(26)6-3-20/h2-3,5-8,10-13,19,24H,4,9,14-18H2,1H3