2-bromanyl-N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]thiocarbamoyl]benzamide Formula: C20H22BrFN3O2S+ MolecularWeight: 467.374983

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NC(=O)C2=CC=CC=C2Br)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=S)NC(=O)C2=CC=CC=C2Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21BrFN3O2S/c21-17-4-2-1-3-16(17)19(26)24-20(28)23-13-18(25-9-11-27-12-10-25)14-5-7-15(22)8-6-14/h1-8,18H,9-13H2,(H2,23,24,26,28)/p+1/t18-/m1/s1