4-[1-(4-carbamimidoylphenyl)-2-(2-hydroxyethylsulfanyl)imidazol-4-yl]benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-hydroxyethylsulfanyl)imidazol-4-yl]benzenecarboximidamide dihydrochloride Openeye Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-hydroxyethylsulfanyl)imidazol-4-yl]benzamidine dihydrochloride CAS Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-hydroxyethylthio)-4-imidazolyl]benzenecarboximidamide dihydrochloride IUPAC Name: 4-[1-(4-carbamimidoylphenyl)-2-(2-hydroxyethylsulfanyl)imidazol-4-yl]benzenecarboximidamide dihydrochloride Traditional Name: 4-[1-(4-amidinophenyl)-2-(2-hydroxyethylthio)imidazol-4-yl]benzamidine dihydrochloride Formula: C19H22Cl2N6OS MolecularWeight: 453.38858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN(C(=N2)SCCO)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN(C(=N2)SCCO)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H20N6OS.2ClH/c20-17(21)13-3-1-12(2-4-13)16-11-25(19(24-16)27-10-9-26)15-7-5-14(6-8-15)18(22)23;;/h1-8,11,26H,9-10H2,(H3,20,21)(H3,22,23);2*1H