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

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

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3S/c1-31-24(30)22(11-13-32-2)28-23(29)20-9-8-18(26-12-10-19-15-25-16-27-19)14-21(20)17-6-4-3-5-7-17/h3-9,14-16,22,26H,10-13H2,1-2H3,(H,25,27)(H,28,29)