methyl 3-[[1-(3-thiomorpholin-4-ylpropyl)benzimidazol-2-yl]carbonylamino]propanoate hydrochloride

Systemtic Name: methyl 3-[[1-(3-thiomorpholin-4-ylpropyl)benzimidazol-2-yl]carbonylamino]propanoate hydrochloride Openeye Name: methyl 3-[[1-(3-thiomorpholinopropyl)benzimidazole-2-carbonyl]amino]propanoate hydrochloride CAS Name: 3-[[oxo-[1-(3-thiomorpholin-4-ylpropyl)-2-benzimidazolyl]methyl]amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[1-(3-thiomorpholin-4-ylpropyl)benzimidazole-2-carbonyl]amino]propanoate hydrochloride Traditional Name: 3-[[1-(3-thiomorpholinopropyl)benzimidazole-2-carbonyl]amino]propionic acid methyl ester hydrochloride Formula: C19H27ClN4O3S MolecularWeight: 426.96068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=NC2=CC=CC=C2N1CCCN3CCSCC3.Cl

Isomeric SMILES

COC(=O)CCNC(=O)C1=NC2=CC=CC=C2N1CCCN3CCSCC3.Cl

InChI

InChI=1S/C19H26N4O3S.ClH/c1-26-17(24)7-8-20-19(25)18-21-15-5-2-3-6-16(15)23(18)10-4-9-22-11-13-27-14-12-22;/h2-3,5-6H,4,7-14H2,1H3,(H,20,25);1H