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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C24H28N4O3S/c1-16-6-4-5-7-19(16)21-12-17(26-14-18-13-25-15-27-18)8-9-20(21)23(29)28-22(10-11-32-3)24(30)31-2/h4-9,12-13,15,22,26H,10-11,14H2,1-3H3,(H,25,27)(H,28,29)