5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide

Systemtic Name: 5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Openeye Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide CAS Name: 5-bromo-2-[2-(4-morpholin-4-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Traditional Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)thiobenzamide Formula: C13H18BrN2O2S+ MolecularWeight: 346.26322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C(=S)N

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C(=S)N

InChI

InChI=1S/C13H17BrN2O2S/c14-10-1-2-12(11(9-10)13(15)19)18-8-5-16-3-6-17-7-4-16/h1-2,9H,3-8H2,(H2,15,19)/p+1