methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-thiomorpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-thiomorpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-thiomorpholinopropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-thiomorpholin-4-ylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-thiomorpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-thiomorpholinopropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCN4CCSCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCN4CCSCC4

InChI

InChI=1S/C26H32N6O3S/c1-35-23(33)9-10-29-26(34)20-7-8-22-21(17-20)30-25(19-5-3-18(4-6-19)24(27)28)32(22)12-2-11-31-13-15-36-16-14-31/h3-8,17H,2,9-16H2,1H3,(H3,27,28)(H,29,34)