2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-chloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C19H21ClFN4OS+ MolecularWeight: 407.912643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClFN4OS/c20-14-4-6-16(7-5-14)23-19(27)25-10-8-24(9-11-25)13-18(26)22-17-3-1-2-15(21)12-17/h1-7,12H,8-11,13H2,(H,22,26)(H,23,27)/p+1