4-bromanyl-N-(4-morpholin-4-ium-4-ylbutylcarbamothioyl)benzamide

Systemtic Name: 4-bromanyl-N-(4-morpholin-4-ium-4-ylbutylcarbamothioyl)benzamide Openeye Name: 4-bromo-N-(4-morpholin-4-ium-4-ylbutylcarbamothioyl)benzamide CAS Name: 4-bromo-N-[[4-(4-morpholin-4-iumyl)butylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-(4-morpholin-4-ium-4-ylbutylcarbamothioyl)benzamide Traditional Name: 4-bromo-N-(4-morpholin-4-ium-4-ylbutylthiocarbamoyl)benzamide Formula: C16H23BrN3O2S+ MolecularWeight: 401.34172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCCNC(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1COCC[NH+]1CCCCNC(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrN3O2S/c17-14-5-3-13(4-6-14)15(21)19-16(23)18-7-1-2-8-20-9-11-22-12-10-20/h3-6H,1-2,7-12H2,(H2,18,19,21,23)/p+1