2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C17H25ClFN4O2S+ MolecularWeight: 403.922403

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H24ClFN4O2S/c1-25-10-2-5-20-16(24)12-22-6-8-23(9-7-22)17(26)21-13-3-4-15(19)14(18)11-13/h3-4,11H,2,5-10,12H2,1H3,(H,20,24)(H,21,26)/p+1