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

Systemtic Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate dihydrochloride Openeye Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methylsulfanyl-butanoate dihydrochloride CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methylsulfanylbutanoate dihydrochloride Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-(methylthio)butyric acid methyl ester dihydrochloride Formula: C17H24Cl2N4O3S MolecularWeight: 435.36846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NCC2=CN=CN2.Cl.Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NCC2=CN=CN2.Cl.Cl

InChI

InChI=1S/C17H22N4O3S.2ClH/c1-24-17(23)15(7-8-25-2)21-16(22)12-3-5-13(6-4-12)19-10-14-9-18-11-20-14;;/h3-6,9,11,15,19H,7-8,10H2,1-2H3,(H,18,20)(H,21,22);2*1H