2,2-dimethylpropyl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 2,2-dimethylpropyl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: 2,2-dimethylpropyl 5-[(4-chlorobenzoyl)amino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 5-[(4-chlorobenzoyl)amino]-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid neopentyl ester Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)COC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClN3O3S/c1-23(2,3)14-30-21(29)18-19(25-20(28)15-10-12-16(24)13-11-15)26-22(31-4)27(18)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,25,28)