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

Systemtic Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate dihydrochloride Openeye Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanyl-butanoate dihydrochloride CAS Name: 2-[[[3-[(1H-imidazol-5-ylmethylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate dihydrochloride Traditional Name: 2-[[3-[(1H-imidazol-5-ylmethylamino)methyl]benzoyl]amino]-4-(methylthio)butyric acid methyl ester dihydrochloride Formula: C18H26Cl2N4O3S MolecularWeight: 449.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S.2ClH/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);2*1H