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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholino-propyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholin-4-ylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-keto-3-thiomorpholino-propyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H30N6O4S MolecularWeight: 522.6192

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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)CCC(=O)N4CCSCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)N4CCSCC4

InChI

InChI=1S/C26H30N6O4S/c1-36-23(34)8-10-29-26(35)19-6-7-21-20(16-19)30-25(18-4-2-17(3-5-18)24(27)28)32(21)11-9-22(33)31-12-14-37-15-13-31/h2-7,16H,8-15H2,1H3,(H3,27,28)(H,29,35)