tert-butyl 4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H26N4O3S/c1-20(2,3)27-19(26)23-12-10-22(11-13-23)17(25)16-14-21-18(28-4)24(16)15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3