4-[5-(4-carbamimidoylphenyl)sulfanylpentylsulfanyl]benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[5-(4-carbamimidoylphenyl)sulfanylpentylsulfanyl]benzenecarboximidamide dihydrochloride Openeye Name: 4-[5-(4-carbamimidoylphenyl)sulfanylpentylsulfanyl]benzamidine dihydrochloride CAS Name: 4-[5-[(4-carbamimidoylphenyl)thio]pentylthio]benzenecarboximidamide dihydrochloride IUPAC Name: 4-[5-(4-carbamimidoylphenyl)sulfanylpentylsulfanyl]benzenecarboximidamide dihydrochloride Traditional Name: 4-[5-[(4-amidinophenyl)thio]pentylthio]benzamidine dihydrochloride Formula: C19H26Cl2N4S2 MolecularWeight: 445.47254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)SCCCCCSC2=CC=C(C=C2)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)SCCCCCSC2=CC=C(C=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H24N4S2.2ClH/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;;/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*1H