methyl 2-[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[ethyl(1H-imidazol-5-yl)amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2)C3=CN=CN3

Isomeric SMILES

CCN(C1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C2=CC=CC=C2)C3=CN=CN3

InChI

InChI=1S/C24H28N4O3S/c1-4-28(22-15-25-16-26-22)18-10-11-19(20(14-18)17-8-6-5-7-9-17)23(29)27-21(12-13-32-3)24(30)31-2/h5-11,14-16,21H,4,12-13H2,1-3H3,(H,25,26)(H,27,29)