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

Systemtic Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[(4-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H26FN4OS+ MolecularWeight: 401.520743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4OS/c1-2-16-6-8-18(9-7-16)24-21(28)26-12-10-25(11-13-26)15-20(27)23-19-5-3-4-17(22)14-19/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)(H,24,28)/p+1