methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CNCC2=CN=CN2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CNCC2=CN=CN2

InChI

InChI=1S/C18H24N4O3S/c1-25-18(24)16(6-7-26-2)22-17(23)14-5-3-4-13(8-14)9-19-10-15-11-20-12-21-15/h3-5,8,11-12,16,19H,6-7,9-10H2,1-2H3,(H,20,21)(H,22,23)