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

Systemtic Name: 2-[4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(3-chloro-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(3-chloro-2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H23ClFN4OS+ MolecularWeight: 421.939223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22ClFN4OS/c1-14-17(21)3-2-4-18(14)24-20(28)26-11-9-25(10-12-26)13-19(27)23-16-7-5-15(22)6-8-16/h2-8H,9-13H2,1H3,(H,23,27)(H,24,28)/p+1