3-[(3-carbamothioylphenyl)sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-carbamothioylphenyl)sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-carbamothioylphenyl)sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[(3-carbamothioylphenyl)sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[(3-carbamothioylphenyl)sulfonylamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[(3-thiocarbamoylphenyl)sulfonylamino]propyl]ammonium Formula: C12H20N3O2S2+ MolecularWeight: 302.4361

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC=CC(=C1)C(=S)N

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C12H19N3O2S2/c1-15(2)8-4-7-14-19(16,17)11-6-3-5-10(9-11)12(13)18/h3,5-6,9,14H,4,7-8H2,1-2H3,(H2,13,18)/p+1