4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide; sulfuric acid

Systemtic Name: 4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide; sulfuric acid Openeye Name: 4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboxamidine; sulfuric acid CAS Name: 4-[[3-(methylthio)phenyl]methyl]-1-piperazinecarboximidamide; sulfuric acid IUPAC Name: 4-[(3-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide; sulfuric acid Traditional Name: 4-[3-(methylthio)benzyl]piperazine-1-carboxamidine; sulfuric acid Formula: C26H42N8O4S3 MolecularWeight: 626.85788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCN(CC2)C(=N)N.CSC1=CC=CC(=C1)CN2CCN(CC2)C(=N)N.OS(=O)(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCN(CC2)C(=N)N.CSC1=CC=CC(=C1)CN2CCN(CC2)C(=N)N.OS(=O)(=O)O

InChI

InChI=1S/2C13H20N4S.H2O4S/c2*1-18-12-4-2-3-11(9-12)10-16-5-7-17(8-6-16)13(14)15;1-5(2,3)4/h2*2-4,9H,5-8,10H2,1H3,(H3,14,15);(H2,1,2,3,4)