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

Systemtic Name: 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H21ClFN4OS+ MolecularWeight: 371.880543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H20ClFN4OS/c17-13-9-12(3-4-14(13)18)20-16(24)22-7-5-21(6-8-22)10-15(23)19-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)(H,20,24)/p+1