2-methylhexan-2-yl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 2-methylhexan-2-yl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: 1,1-dimethylpentyl 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-methylhexan-2-yl ester IUPAC Name: 2-methylhexan-2-yl 5-[(4-chlorobenzoyl)amino]-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid 1,1-dimethylpentyl ester Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3S/c1-5-6-16-25(2,3)32-23(31)20-21(27-22(30)17-12-14-18(26)15-13-17)28-24(33-4)29(20)19-10-8-7-9-11-19/h7-15H,5-6,16H2,1-4H3,(H,27,30)