(4-carbamothioylphenyl)methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide

Systemtic Name: (4-carbamothioylphenyl)methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide Openeye Name: (4-carbamothioylphenyl)methylsulfonyl-[2-(dimethylammonio)ethyl]azanide CAS Name: (4-carbamothioylphenyl)methylsulfonyl-[2-(dimethylammonio)ethyl]azanide IUPAC Name: (4-carbamothioylphenyl)methylsulfonyl-[2-(dimethylazaniumyl)ethyl]azanide Traditional Name: 2-(dimethylammonio)ethyl-(4-thiocarbamoylbenzyl)sulfonyl-azanide Formula: C12H19N3O2S2 MolecularWeight: 301.42816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N-]S(=O)(=O)CC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

C[NH+](C)CC[N-]S(=O)(=O)CC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C12H18N3O2S2/c1-15(2)8-7-14-19(16,17)9-10-3-5-11(6-4-10)12(13)18/h3-6H,7-9H2,1-2H3,(H2,13,18)/q-1/p+1