3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylsulfamoyl]benzenecarbothioamide IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylsulfamoyl]benzenecarbothioamide Traditional Name: 3-[[(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(=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-2-17-8-4-6-12(17)10-16-21(18,19)13-7-3-5-11(9-13)14(15)20/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3,(H2,15,20)/p+1/t12-/m0/s1