3-(N-methyl-N-phenyl-carbamimidoyl)sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-(N-methyl-N-phenyl-carbamimidoyl)sulfanylpropane-1-sulfonic acid Openeye Name: 3-(N-methyl-N-phenyl-carbamimidoyl)sulfanylpropane-1-sulfonic acid CAS Name: 3-[[imino-(N-methylanilino)methyl]thio]-1-propanesulfonic acid IUPAC Name: 3-(N-methyl-N-phenylcarbamimidoyl)sulfanylpropane-1-sulfonic acid Traditional Name: 3-[(N-methyl-N-phenyl-amidino)thio]propane-1-sulfonic acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=N)SCCCS(=O)(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=N)SCCCS(=O)(=O)O

InChI

InChI=1S/C11H16N2O3S2/c1-13(10-6-3-2-4-7-10)11(12)17-8-5-9-18(14,15)16/h2-4,6-7,12H,5,8-9H2,1H3,(H,14,15,16)