ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-propyl-amino]propanoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-propyl-amino]propanoate hydrochloride Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazole-5-carbonyl]-propyl-amino]propanoate hydrochloride CAS Name: 3-[[[2-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-propylamino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]-propylamino]propanoate hydrochloride Traditional Name: 3-[[2-[[(4-amidinophenyl)thio]methyl]-1-methyl-benzimidazole-5-carbonyl]-propyl-amino]propionic acid ethyl ester hydrochloride Formula: C25H32ClN5O3S MolecularWeight: 518.07128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C25H31N5O3S.ClH/c1-4-13-30(14-12-23(31)33-5-2)25(32)18-8-11-21-20(15-18)28-22(29(21)3)16-34-19-9-6-17(7-10-19)24(26)27;/h6-11,15H,4-5,12-14,16H2,1-3H3,(H3,26,27);1H