3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid hydrochloride

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid hydrochloride Openeye Name: 3-(N-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoic acid hydrochloride CAS Name: 3-(N-[[2-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid hydrochloride IUPAC Name: 3-(N-[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoic acid hydrochloride Traditional Name: 3-(N-[2-[[(4-amidinophenyl)thio]methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid hydrochloride Formula: C26H26ClN5O3S MolecularWeight: 524.03434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CSC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CSC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C26H25N5O3S.ClH/c1-30-22-12-9-18(26(34)31(14-13-24(32)33)19-5-3-2-4-6-19)15-21(22)29-23(30)16-35-20-10-7-17(8-11-20)25(27)28;/h2-12,15H,13-14,16H2,1H3,(H3,27,28)(H,32,33);1H