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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(4-nitrophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H21FN5O3S+ MolecularWeight: 418.465143

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O3S/c20-14-2-1-3-16(12-14)21-18(26)13-23-8-10-24(11-9-23)19(29)22-15-4-6-17(7-5-15)25(27)28/h1-7,12H,8-11,13H2,(H,21,26)(H,22,29)/p+1