2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide CAS Name: 2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylsulfamoyl]benzenecarbothioamide IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]thiobenzamide Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNS(=O)(=O)C2=CC=CC=C2C(=S)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNS(=O)(=O)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H21N3O2S2/c1-2-17-9-5-6-11(17)10-16-21(18,19)13-8-4-3-7-12(13)14(15)20/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3,(H2,15,20)/p+1/t11-/m0/s1