N-(4-fluorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[anilino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(phenylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22FN4OS+ MolecularWeight: 373.467583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4OS/c20-15-6-8-17(9-7-15)21-18(25)14-23-10-12-24(13-11-23)19(26)22-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,25)(H,22,26)/p+1