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

Systemtic Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(cyclohexylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(cyclohexylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C19H28FN4OS+ MolecularWeight: 379.515223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H27FN4OS/c20-15-5-4-8-17(13-15)21-18(25)14-23-9-11-24(12-10-23)19(26)22-16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H,21,25)(H,22,26)/p+1