3-fluoranyl-4-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbothioamide Openeye Name: 3-fluoro-4-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbothioamide CAS Name: 3-fluoro-4-(4-thiomorpholin-4-iumylmethyl)benzenecarbothioamide IUPAC Name: 3-fluoro-4-(thiomorpholin-4-ium-4-ylmethyl)benzenecarbothioamide Traditional Name: 3-fluoro-4-(thiomorpholin-4-ium-4-ylmethyl)thiobenzamide Formula: C12H16FN2S2+ MolecularWeight: 271.397243

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C1CSCC[NH+]1CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C12H15FN2S2/c13-11-7-9(12(14)16)1-2-10(11)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H2,14,16)/p+1